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

Systemtic Name: (6-ethanoyl-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) 4-methylbenzoate Openeye Name: (6-acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic 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) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (6-acetyl-4-keto-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) ester Formula: C28H20N2O4S2 MolecularWeight: 512.5994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(SC3=C2C(=O)N(C(=S)N3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(SC3=C2C(=O)N(C(=S)N3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C

InChI

InChI=1S/C28H20N2O4S2/c1-17-13-15-19(16-14-17)27(33)34-23-22-25(32)29(20-9-5-3-6-10-20)28(35)30(21-11-7-4-8-12-21)26(22)36-24(23)18(2)31/h3-16H,1-2H3