propyl 2-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: propyl 2-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: propyl 2-[(6-bromo-2-phenyl-quinoline-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-phenyl-4-quinolinyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[(6-bromo-2-phenylquinoline-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-phenyl-quinoline-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid propyl ester Formula: C27H23BrN2O3S MolecularWeight: 535.45212

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C27H23BrN2O3S/c1-2-13-33-27(32)24-18-9-6-10-23(18)34-26(24)30-25(31)20-15-22(16-7-4-3-5-8-16)29-21-12-11-17(28)14-19(20)21/h3-5,7-8,11-12,14-15H,2,6,9-10,13H2,1H3,(H,30,31)