methyl 4-[(3E)-3-(phenylsulfanylmethylidene)-2-sulfanylidene-pyrrolidin-1-yl]benzoate

Systemtic Name: methyl 4-[(3E)-3-(phenylsulfanylmethylidene)-2-sulfanylidene-pyrrolidin-1-yl]benzoate Openeye Name: methyl 4-[(3E)-3-(phenylsulfanylmethylene)-2-thioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3E)-3-[(phenylthio)methylidene]-2-sulfanylidene-1-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3E)-3-(phenylsulfanylmethylidene)-2-sulfanylidenepyrrolidin-1-yl]benzoate Traditional Name: 4-[(3E)-3-[(phenylthio)methylene]-2-thioxo-pyrrolidino]benzoic acid methyl ester Formula: C19H17NO2S2 MolecularWeight: 355.47378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CCC(=CSC3=CC=CC=C3)C2=S

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CC/C(=C\SC3=CC=CC=C3)/C2=S

InChI

InChI=1S/C19H17NO2S2/c1-22-19(21)14-7-9-16(10-8-14)20-12-11-15(18(20)23)13-24-17-5-3-2-4-6-17/h2-10,13H,11-12H2,1H3/b15-13+