methyl 2-[(2-azanylidene-6-nitro-chromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-azanylidene-6-nitro-chromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-imino-6-nitro-chromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-imino-6-nitro-1-benzopyran-3-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-imino-6-nitrochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-imino-6-nitro-chromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=N

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=N

InChI

InChI=1S/C20H17N3O6S/c1-28-20(25)16-12-4-2-3-5-15(12)30-19(16)22-18(24)13-9-10-8-11(23(26)27)6-7-14(10)29-17(13)21/h6-9,21H,2-5H2,1H3,(H,22,24)