[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1CC(=O)N(C1)C2=CC(=CC=C2)SC

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)[C@H]1CC(=O)N(C1)C2=CC(=CC=C2)SC

InChI

InChI=1S/C19H26N2O4S/c1-4-14(5-2)20-17(22)12-25-19(24)13-9-18(23)21(11-13)15-7-6-8-16(10-15)26-3/h6-8,10,13-14H,4-5,9,11-12H2,1-3H3,(H,20,22)/t13-/m0/s1