(2-sulfanylidenepyridin-1-yl) 2-(diethylcarbamoyl)-2-methyl-7,7-diphenyl-hept-6-enoate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 2-(diethylcarbamoyl)-2-methyl-7,7-diphenyl-hept-6-enoate Openeye Name: (2-thioxo-1-pyridyl) 2-(diethylcarbamoyl)-2-methyl-7,7-diphenyl-hept-6-enoate CAS Name: 2-[diethylamino(oxo)methyl]-2-methyl-7,7-diphenyl-6-heptenoic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 2-(diethylcarbamoyl)-2-methyl-7,7-diphenylhept-6-enoate Traditional Name: 2-(diethylcarbamoyl)-2-methyl-7,7-diphenyl-hept-6-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(C)(CCCC=C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)ON3C=CC=CC3=S

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O3S/c1-4-31(5-2)28(33)30(3,29(34)35-32-23-15-13-21-27(32)36)22-14-12-20-26(24-16-8-6-9-17-24)25-18-10-7-11-19-25/h6-11,13,15-21,23H,4-5,12,14,22H2,1-3H3