[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H15BrN2O5S MolecularWeight: 439.2804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H15BrN2O5S/c18-12-8-11(20(23)24)5-6-13(12)19-16(21)9-25-17(22)15-7-10-3-1-2-4-14(10)26-15/h5-8H,1-4,9H2,(H,19,21)