[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C17H21N3O4S2/c1-12(21)18-13-4-6-14(7-5-13)19-15(22)10-24-16(23)11-26-17(25)20-8-2-3-9-20/h4-7H,2-3,8-11H2,1H3,(H,18,21)(H,19,22)