[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C17H11BrClNO3S MolecularWeight: 424.69614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC(=O)NC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC(=O)NC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C17H11BrClNO3S/c18-10-5-7-11(8-6-10)20-14(21)9-23-17(22)16-15(19)12-3-1-2-4-13(12)24-16/h1-8H,9H2,(H,20,21)