[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C17H20N2O4S2/c1-12(20)13-5-4-6-14(9-13)18-15(21)10-23-16(22)11-25-17(24)19-7-2-3-8-19/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,18,21)