[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C17H22N2O3S2 MolecularWeight: 366.49818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S2/c1-12-5-6-13(2)14(9-12)18-15(20)10-22-16(21)11-24-17(23)19-7-3-4-8-19/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,18,20)