Name: Name:Methyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
Brand: Angene
SKU: AG0066MW
Rating: 90 (10 reviews)

Methyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate

CAS No.:

923942-34-1

Catalog Number:

AG0066MW

Molecular Formula:

C17H18N2O3S

Molecular Weight:

330.4014

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In Stock USA

United States

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In Stock USA

United States

$713

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Catalog Number:

AG0066MW

Chemical Name:

Methyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate

CAS Number:

923942-34-1

Molecular Formula:

C17H18N2O3S

Molecular Weight:

330.4014

MDL Number:

MFCD20488021

IUPAC Name:

methyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate

InChI:

InChI=1S/C17H18N2O3S/c1-10(2)9-22-14-6-5-12(7-13(14)8-18)16-19-11(3)15(23-16)17(20)21-4/h5-7,10H,9H2,1-4H3

InChI Key:

LCAIQMGTEPBUGN-UHFFFAOYSA-N

SMILES:

COC(=O)c1sc(nc1C)c1ccc(c(c1)C#N)OCC(C)C

Complexity:

462

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

330.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

330.402g/mol

Monoisotopic Mass:

330.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

100A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2