(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2-nitrophenyl)ethanoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2-nitrophenyl)ethanoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2-nitrophenyl)acetate CAS Name: 2-(2-nitrophenyl)acetic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2-nitrophenyl)acetate Traditional Name: 2-(2-nitrophenyl)acetic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)CC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)CC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C17H15N3O5S/c1-9-10(2)26-17-15(9)16(22)18-13(19-17)8-25-14(21)7-11-5-3-4-6-12(11)20(23)24/h3-6H,7-8H2,1-2H3,(H,18,19,22)