[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C18H11Cl2NO6S MolecularWeight: 440.25404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C18H11Cl2NO6S/c1-26-13-7-6-11-14(19)17(28-16(11)15(13)20)18(23)27-8-12(22)9-2-4-10(5-3-9)21(24)25/h2-7H,8H2,1H3