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

Systemtic Name: (6-cyano-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) 4-methoxybenzoate Openeye Name: (6-cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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) 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (6-cyano-4-keto-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) ester Formula: C27H17N3O4S2 MolecularWeight: 511.57158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(SC3=C2C(=O)N(C(=S)N3C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(SC3=C2C(=O)N(C(=S)N3C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C27H17N3O4S2/c1-33-20-14-12-17(13-15-20)26(32)34-23-21(16-28)36-25-22(23)24(31)29(18-8-4-2-5-9-18)27(35)30(25)19-10-6-3-7-11-19/h2-15H,1H3