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

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 2-(diethylcarbamoyl)-7,7-diphenyl-hept-6-enoate Openeye Name: (2-thioxo-1-pyridyl) 2-(diethylcarbamoyl)-7,7-diphenyl-hept-6-enoate CAS Name: 2-[diethylamino(oxo)methyl]-7,7-diphenyl-6-heptenoic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoate Traditional Name: 2-(diethylcarbamoyl)-7,7-diphenyl-hept-6-enoic acid (2-thioxo-1-pyridyl) ester Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O3S/c1-3-30(4-2)28(32)26(29(33)34-31-22-14-13-21-27(31)35)20-12-11-19-25(23-15-7-5-8-16-23)24-17-9-6-10-18-24/h5-10,13-19,21-22,26H,3-4,11-12,20H2,1-2H3