Name: Name:tert-butyl 4-phenyl-2-[(2E)-3-(thiophen-2-yl)prop-2-enamido]thiophene-3-carboxylate
Brand: Angene
SKU: AG01EM8J
Rating: 90 (10 reviews)

tert-butyl 4-phenyl-2-[(2E)-3-(thiophen-2-yl)prop-2-enamido]thiophene-3-carboxylate

CAS No.:

2138805-83-9

Catalog Number:

AG01EM8J

Molecular Formula:

C22H21NO3S2

Molecular Weight:

411.5370

Catalog Number:

AG01EM8J

Chemical Name:

tert-butyl 4-phenyl-2-[(2E)-3-(thiophen-2-yl)prop-2-enamido]thiophene-3-carboxylate

CAS Number:

2138805-83-9

Molecular Formula:

C22H21NO3S2

Molecular Weight:

411.5370

MDL Number:

MFCD31559388

IUPAC Name:

tert-butyl 4-phenyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate

InChI:

InChI=1S/C22H21NO3S2/c1-22(2,3)26-21(25)19-17(15-8-5-4-6-9-15)14-28-20(19)23-18(24)12-11-16-10-7-13-27-16/h4-14H,1-3H3,(H,23,24)/b12-11+

InChI Key:

MREUWJSHZQQTBG-VAWYXSNFSA-N

SMILES:

O=C(Nc1scc(c1C(=O)OC(C)(C)C)c1ccccc1)/C=C/c1cccs1

Complexity:

581

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

411.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

411.534g/mol

Monoisotopic Mass:

411.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

112A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.9