(2-sulfanylidenepyridin-1-yl) 2-(diethylcarbamoyl)-8,8-diphenyl-oct-7-enoate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 2-(diethylcarbamoyl)-8,8-diphenyl-oct-7-enoate Openeye Name: (2-thioxo-1-pyridyl) 2-(diethylcarbamoyl)-8,8-diphenyl-oct-7-enoate CAS Name: 2-[diethylamino(oxo)methyl]-8,8-diphenyl-7-octenoic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 2-(diethylcarbamoyl)-8,8-diphenyloct-7-enoate Traditional Name: 2-(diethylcarbamoyl)-8,8-diphenyl-oct-7-enoic acid (2-thioxo-1-pyridyl) ester Formula: C30H34N2O3S MolecularWeight: 502.66756

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(CCCCC=C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)ON3C=CC=CC3=S

Isomeric SMILES

CCN(CC)C(=O)C(CCCCC=C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)ON3C=CC=CC3=S

InChI

InChI=1S/C30H34N2O3S/c1-3-31(4-2)29(33)27(30(34)35-32-23-15-14-22-28(32)36)21-13-7-12-20-26(24-16-8-5-9-17-24)25-18-10-6-11-19-25/h5-6,8-11,14-20,22-23,27H,3-4,7,12-13,21H2,1-2H3