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

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

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C29H27BrN2O3S/c1-16(2)35-29(34)26-21-12-11-17(3)13-25(21)36-28(26)32-27(33)22-15-24(18-7-6-8-19(30)14-18)31-23-10-5-4-9-20(22)23/h4-10,14-17H,11-13H2,1-3H3,(H,32,33)