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

Systemtic Name: [2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-oxo-2-(4-phenylanilino)ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-oxo-2-(4-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylanilino)ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-keto-2-(4-phenylanilino)ethyl] ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)OCC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)OCC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S2/c24-19(14-26-20(25)15-28-21(27)23-12-4-5-13-23)22-18-10-8-17(9-11-18)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-15H2,(H,22,24)