methyl 3-[[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate

Systemtic Name: methyl 3-[[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: methyl 3-[[5-(3-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 3-[[5-(3-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 3-[[4-keto-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid methyl ester Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O5S/c1-29-21(26)15-6-2-4-13(8-15)10-23-12-22-19-18(20(23)25)17(11-30-19)14-5-3-7-16(9-14)24(27)28/h2-9,11-12H,10H2,1H3