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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S2/c18-8-7-13-3-5-14(6-4-13)19-15(21)11-23-16(22)12-25-17(24)20-9-1-2-10-20/h3-6H,1-2,7,9-12H2,(H,19,21)