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

Systemtic Name: propyl 4-[[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: propyl 4-[[5-(3-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 4-[[5-(3-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid propyl ester IUPAC Name: propyl 4-[[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 4-[[4-keto-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid propyl ester Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O5S/c1-2-10-31-23(28)16-8-6-15(7-9-16)12-25-14-24-21-20(22(25)27)19(13-32-21)17-4-3-5-18(11-17)26(29)30/h3-9,11,13-14H,2,10,12H2,1H3