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

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C16H20N2O3S2/c1-12-5-4-6-13(9-12)17-14(19)10-21-15(20)11-23-16(22)18-7-2-3-8-18/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,17,19)