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

Systemtic Name: ethyl 2-[5-(4-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: ethyl 2-[5-(4-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid ethyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S/c1-2-24-13(20)7-18-9-17-15-14(16(18)21)12(8-25-15)10-3-5-11(6-4-10)19(22)23/h3-6,8-9H,2,7H2,1H3