[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC(C2=CC=CS2)NC(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC(C2=CC=CS2)NC(=O)C)C

InChI

InChI=1S/C19H22N2O4S/c1-12-6-7-15(9-13(12)2)21-18(23)11-25-19(24)10-16(20-14(3)22)17-5-4-8-26-17/h4-9,16H,10-11H2,1-3H3,(H,20,22)(H,21,23)