Name: Name:4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Brand: Angene
SKU: AG019GQ5
Rating: 90 (10 reviews)

4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

CAS No.:

380569-12-0

Catalog Number:

AG019GQ5

Molecular Formula:

C15H15NO4S2

Molecular Weight:

337.4139

Catalog Number:

AG019GQ5

Chemical Name:

4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

CAS Number:

380569-12-0

Molecular Formula:

C15H15NO4S2

Molecular Weight:

337.4139

MDL Number:

MFCD02989165

IUPAC Name:

4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

InChI:

InChI=1S/C15H15NO4S2/c1-20-11-6-4-10(5-7-11)9-12-14(19)16(15(21)22-12)8-2-3-13(17)18/h4-7,9H,2-3,8H2,1H3,(H,17,18)/b12-9-

InChI Key:

WNSXQGARFJFRDC-XFXZXTDPSA-N

SMILES:

COc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)O

Complexity:

484

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

337.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

337.408g/mol

Monoisotopic Mass:

337.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

124A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8