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

Systemtic Name: methyl 2-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(5-nitro-2-oxo-indol-3-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(5-nitro-2-oxo-3-indolyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-nitro-2-oxoindol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-keto-5-nitro-indol-3-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC3=C4C=C(C=CC4=NC3=O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC3=C4C=C(C=CC4=NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-26-18(23)14-10-4-2-3-5-13(10)27-17(14)20-15-11-8-9(21(24)25)6-7-12(11)19-16(15)22/h6-8H,2-5H2,1H3,(H,19,20,22)