methyl 2-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(6-bromo-2-phenyl-quinoline-4-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-phenyl-4-quinolinyl)-oxomethyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-2-phenylquinoline-4-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-phenyl-quinoline-4-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C32H25BrN2O3S MolecularWeight: 597.5215

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=CC(=NC5=C4C=C(C=C5)Br)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=CC(=NC5=C4C=C(C=C5)Br)C6=CC=CC=C6

InChI

InChI=1S/C32H25BrN2O3S/c1-38-32(37)29-23-14-12-21(19-8-4-2-5-9-19)16-28(23)39-31(29)35-30(36)25-18-27(20-10-6-3-7-11-20)34-26-15-13-22(33)17-24(25)26/h2-11,13,15,17-18,21H,12,14,16H2,1H3,(H,35,36)