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

Systemtic Name: ethyl 6-methyl-2-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-(5-nitro-2-oxo-1-pyridyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[[2-(5-nitro-2-oxopyridin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-keto-5-nitro-1-pyridyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-3-28-19(25)17-13-6-4-11(2)8-14(13)29-18(17)20-15(23)10-21-9-12(22(26)27)5-7-16(21)24/h5,7,9,11H,3-4,6,8,10H2,1-2H3,(H,20,23)