ethyl 2-[(4-bromophenyl)carbonylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate

Systemtic Name: ethyl 2-[(4-bromophenyl)carbonylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: ethyl 2-[(4-bromobenzoyl)amino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromobenzoyl)amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-[(4-bromobenzoyl)amino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid ethyl ester Formula: C22H18BrNO3S MolecularWeight: 456.35222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrNO3S/c1-2-27-22(26)18-17-12-9-13-5-3-4-6-16(13)19(17)28-21(18)24-20(25)14-7-10-15(23)11-8-14/h3-8,10-11H,2,9,12H2,1H3,(H,24,25)