[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C19H21NO4S2/c1-12-10-14(13(2)26-12)16(21)8-9-19(23)24-11-18(22)20-15-6-4-5-7-17(15)25-3/h4-7,10H,8-9,11H2,1-3H3,(H,20,22)