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

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S2/c17-9-12-3-5-13(6-4-12)18-14(20)10-22-15(21)11-24-16(23)19-7-1-2-8-19/h3-6H,1-2,7-8,10-11H2,(H,18,20)