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

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C18H13ClN2O6S MolecularWeight: 420.82362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN2O6S/c1-26-12-5-6-13-14(8-12)28-17(16(13)19)18(23)27-9-15(22)20-10-3-2-4-11(7-10)21(24)25/h2-8H,9H2,1H3,(H,20,22)