propan-2-yl 2-[[2-(4-bromophenyl)-8-methyl-quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[2-(4-bromophenyl)-8-methyl-quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(4-bromophenyl)-8-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(4-bromophenyl)-8-methyl-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(4-bromophenyl)-8-methylquinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromophenyl)-8-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C29H27BrN2O3S MolecularWeight: 563.50528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C)C5=CC=C(C=C5)Br

InChI

InChI=1S/C29H27BrN2O3S/c1-16(2)35-29(34)25-21-8-4-5-10-24(21)36-28(25)32-27(33)22-15-23(18-11-13-19(30)14-12-18)31-26-17(3)7-6-9-20(22)26/h6-7,9,11-16H,4-5,8,10H2,1-3H3,(H,32,33)