[4-ethoxycarbonyl-4-[2-(2-methylsulfanylcarbothioyl-2-phenyl-hydrazinyl)ethyl]cyclohex-2-en-1-yl] benzoate

Systemtic Name: [4-ethoxycarbonyl-4-[2-(2-methylsulfanylcarbothioyl-2-phenyl-hydrazinyl)ethyl]cyclohex-2-en-1-yl] benzoate Openeye Name: [4-ethoxycarbonyl-4-[2-(2-methylsulfanylcarbothioyl-2-phenyl-hydrazino)ethyl]cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [4-ethoxycarbonyl-4-[2-[2-[(methylthio)-sulfanylidenemethyl]-2-phenylhydrazinyl]ethyl]-1-cyclohex-2-enyl] ester IUPAC Name: [4-ethoxycarbonyl-4-[2-(2-methylsulfanylcarbothioyl-2-phenylhydrazinyl)ethyl]cyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [4-carbethoxy-4-[2-[N'-(methylthio)carbothioyl-N'-phenyl-hydrazino]ethyl]cyclohex-2-en-1-yl] ester Formula: C26H30N2O4S2 MolecularWeight: 498.6574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(C=C1)OC(=O)C2=CC=CC=C2)CCNN(C3=CC=CC=C3)C(=S)SC

Isomeric SMILES

CCOC(=O)C1(CCC(C=C1)OC(=O)C2=CC=CC=C2)CCNN(C3=CC=CC=C3)C(=S)SC

InChI

InChI=1S/C26H30N2O4S2/c1-3-31-24(30)26(18-19-27-28(25(33)34-2)21-12-8-5-9-13-21)16-14-22(15-17-26)32-23(29)20-10-6-4-7-11-20/h4-14,16,22,27H,3,15,17-19H2,1-2H3