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

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-bromoanilino)-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-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C18H12BrCl2NO4S MolecularWeight: 489.16718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)OCC(=O)NC3=CC=C(C=C3)Br)Cl)Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)OCC(=O)NC3=CC=C(C=C3)Br)Cl)Cl

InChI

InChI=1S/C18H12BrCl2NO4S/c1-25-12-7-6-11-14(20)17(27-16(11)15(12)21)18(24)26-8-13(23)22-10-4-2-9(19)3-5-10/h2-7H,8H2,1H3,(H,22,23)