(6-cyano-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) 3,4,5-trimethoxybenzoate

Systemtic Name: (6-cyano-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) 3,4,5-trimethoxybenzoate Openeye Name: (6-cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid (6-cyano-4-oxo-1,3-diphenyl-2-sulfanylidene-5-thieno[2,3-d]pyrimidinyl) ester IUPAC Name: (6-cyano-4-oxo-1,3-diphenyl-2-sulfanylidenethieno[2,3-d]pyrimidin-5-yl) 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (6-cyano-4-keto-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) ester Formula: C29H21N3O6S2 MolecularWeight: 571.62354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(SC3=C2C(=O)N(C(=S)N3C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(SC3=C2C(=O)N(C(=S)N3C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C29H21N3O6S2/c1-35-20-14-17(15-21(36-2)24(20)37-3)28(34)38-25-22(16-30)40-27-23(25)26(33)31(18-10-6-4-7-11-18)29(39)32(27)19-12-8-5-9-13-19/h4-15H,1-3H3