methyl 2-[2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-cyano-5-nitro-2-oxo-1-pyridyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-cyano-5-nitro-2-oxopyridin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-cyano-2-keto-5-nitro-1-pyridyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H16N4O6S MolecularWeight: 416.40784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O6S/c1-28-18(25)15-12-4-2-3-5-13(12)29-16(15)20-14(23)9-21-8-11(22(26)27)6-10(7-19)17(21)24/h6,8H,2-5,9H2,1H3,(H,20,23)