ethyl 3-[methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-methyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H16N4O6S MolecularWeight: 416.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=NC(=O)C3=C(N2)C=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=NC(=O)C3=C(N2)C=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O6S/c1-3-28-18(25)11-6-10(7-12(8-11)22(26)27)17(24)21(2)9-14-19-13-4-5-29-15(13)16(23)20-14/h4-8H,3,9H2,1-2H3,(H,19,20,23)