methyl 4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methoxy]-3-nitro-benzoate Openeye Name: methyl 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methoxy]-3-nitro-benzoate CAS Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methoxy]-3-nitrobenzoate Traditional Name: 4-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methoxy]-3-nitro-benzoic acid methyl ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C17H15N3O6S/c1-8-9(2)27-16-14(8)15(21)18-13(19-16)7-26-12-5-4-10(17(22)25-3)6-11(12)20(23)24/h4-6H,7H2,1-3H3,(H,18,19,21)