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

Systemtic Name: (6-ethanoyl-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) 3-nitrobenzoate Openeye Name: (6-acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic 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) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (6-acetyl-4-keto-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) ester Formula: C27H17N3O6S2 MolecularWeight: 543.57038

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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)[N+](=O)[O-]

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)[N+](=O)[O-]

InChI

InChI=1S/C27H17N3O6S2/c1-16(31)23-22(36-26(33)17-9-8-14-20(15-17)30(34)35)21-24(32)28(18-10-4-2-5-11-18)27(37)29(25(21)38-23)19-12-6-3-7-13-19/h2-15H,1H3