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

Systemtic Name: 2-methylpropyl 2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: isobutyl 2-[5-(3-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(3-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid isobutyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-11(2)8-26-15(22)7-20-10-19-17-16(18(20)23)14(9-27-17)12-4-3-5-13(6-12)21(24)25/h3-6,9-11H,7-8H2,1-2H3