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

Systemtic Name: methyl 2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: methyl 2-[5-(3-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[5-(3-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid methyl ester IUPAC Name: methyl 2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[4-keto-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]butyric acid methyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)OC)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5S/c1-3-13(17(22)25-2)19-9-18-15-14(16(19)21)12(8-26-15)10-5-4-6-11(7-10)20(23)24/h4-9,13H,3H2,1-2H3