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

Systemtic Name: 2-[2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(3-cyano-5-nitro-2-oxo-1-pyridyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(3-cyano-5-nitro-2-oxopyridin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(3-cyano-2-keto-5-nitro-1-pyridyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C17H15N5O5S/c18-6-9-5-10(22(26)27)7-21(17(9)25)8-13(23)20-16-14(15(19)24)11-3-1-2-4-12(11)28-16/h5,7H,1-4,8H2,(H2,19,24)(H,20,23)