[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)SC)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)SC)NC(=O)C2=CC=CS2

InChI

InChI=1S/C19H22N2O4S2/c1-12(2)17(21-18(23)15-5-4-10-27-15)19(24)25-11-16(22)20-13-6-8-14(26-3)9-7-13/h4-10,12,17H,11H2,1-3H3,(H,20,22)(H,21,23)