[1-cyano-2-[4-(2-ethoxycarbothioylsulfanylpropan-2-yl)cyclohexen-1-yl]ethyl] benzoate

Systemtic Name: [1-cyano-2-[4-(2-ethoxycarbothioylsulfanylpropan-2-yl)cyclohexen-1-yl]ethyl] benzoate Openeye Name: [1-cyano-2-[4-(1-ethoxycarbothioylsulfanyl-1-methyl-ethyl)cyclohexen-1-yl]ethyl] benzoate CAS Name: benzoic acid [1-cyano-2-[4-[2-[[ethoxy(sulfanylidene)methyl]thio]propan-2-yl]-1-cyclohexenyl]ethyl] ester IUPAC Name: [1-cyano-2-[4-(2-ethoxycarbothioylsulfanylpropan-2-yl)cyclohexen-1-yl]ethyl] benzoate Traditional Name: benzoic acid [1-cyano-2-[4-[1-(ethoxycarbothioylthio)-1-methyl-ethyl]cyclohexen-1-yl]ethyl] ester Formula: C22H27NO3S2 MolecularWeight: 417.58468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(C)(C)C1CCC(=CC1)CC(C#N)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=S)SC(C)(C)C1CCC(=CC1)CC(C#N)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H27NO3S2/c1-4-25-21(27)28-22(2,3)18-12-10-16(11-13-18)14-19(15-23)26-20(24)17-8-6-5-7-9-17/h5-10,18-19H,4,11-14H2,1-3H3