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

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C18H12ClNO6S MolecularWeight: 405.80898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H12ClNO6S/c1-25-12-6-7-13-15(8-12)27-17(16(13)19)18(22)26-9-14(21)10-2-4-11(5-3-10)20(23)24/h2-8H,9H2,1H3