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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C18H12BrClO4S MolecularWeight: 439.70748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OCC(=O)C3=CC=C(C=C3)Br)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OCC(=O)C3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C18H12BrClO4S/c1-23-12-6-7-13-15(8-12)25-17(16(13)20)18(22)24-9-14(21)10-2-4-11(19)5-3-10/h2-8H,9H2,1H3