methyl 2-[(2-bromophenyl)carbamoylamino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 2-[(2-bromophenyl)carbamoylamino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 2-[(2-bromophenyl)carbamoylamino]-7-methoxy-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 2-[[(2-bromoanilino)-oxomethyl]amino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromophenyl)carbamoylamino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 2-[(2-bromophenyl)carbamoylamino]-7-methoxy-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C22H19BrN2O4S MolecularWeight: 487.36626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)SC(=C3C(=O)OC)NC(=O)NC4=CC=CC=C4Br

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)SC(=C3C(=O)OC)NC(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C22H19BrN2O4S/c1-28-13-8-9-14-12(11-13)7-10-17-18(14)19(21(26)29-2)20(30-17)25-22(27)24-16-6-4-3-5-15(16)23/h3-6,8-9,11H,7,10H2,1-2H3,(H2,24,25,27)