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

Systemtic Name: (6-ethanoyl-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) benzoate Openeye Name: (6-acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) benzoate CAS Name: benzoic acid (6-acetyl-4-oxo-1,3-diphenyl-2-sulfanylidene-5-thieno[2,3-d]pyrimidinyl) ester IUPAC Name: (6-acetyl-4-oxo-1,3-diphenyl-2-sulfanylidenethieno[2,3-d]pyrimidin-5-yl) benzoate Traditional Name: benzoic acid (6-acetyl-4-keto-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) ester Formula: C27H18N2O4S2 MolecularWeight: 498.57282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H18N2O4S2/c1-17(30)23-22(33-26(32)18-11-5-2-6-12-18)21-24(31)28(19-13-7-3-8-14-19)27(34)29(25(21)35-23)20-15-9-4-10-16-20/h2-16H,1H3