propan-2-yl 2-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: isopropyl 2-[(6-bromo-2-phenyl-quinoline-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-phenyl-4-quinolinyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(6-bromo-2-phenylquinoline-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-phenyl-quinoline-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid isopropyl ester Formula: C29H27BrN2O3S MolecularWeight: 563.50528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C29H27BrN2O3S/c1-17(2)35-29(34)26-20-11-7-4-8-12-25(20)36-28(26)32-27(33)22-16-24(18-9-5-3-6-10-18)31-23-14-13-19(30)15-21(22)23/h3,5-6,9-10,13-17H,4,7-8,11-12H2,1-2H3,(H,32,33)