propan-2-yl 2-[(7-chloranyl-3,8-dimethyl-2-phenyl-quinolin-4-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[(7-chloranyl-3,8-dimethyl-2-phenyl-quinolin-4-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: isopropyl 2-[(7-chloro-3,8-dimethyl-2-phenyl-quinoline-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(7-chloro-3,8-dimethyl-2-phenyl-4-quinolinyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(7-chloro-3,8-dimethyl-2-phenylquinoline-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(7-chloro-3,8-dimethyl-2-phenyl-quinoline-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid isopropyl ester Formula: C29H27ClN2O3S MolecularWeight: 519.05428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C(C(=C(N=C12)C3=CC=CC=C3)C)C(=O)NC4=C(C5=C(S4)CCC5)C(=O)OC(C)C)Cl

Isomeric SMILES

CC1=C(C=CC2=C(C(=C(N=C12)C3=CC=CC=C3)C)C(=O)NC4=C(C5=C(S4)CCC5)C(=O)OC(C)C)Cl

InChI

InChI=1S/C29H27ClN2O3S/c1-15(2)35-29(34)24-19-11-8-12-22(19)36-28(24)32-27(33)23-17(4)25(18-9-6-5-7-10-18)31-26-16(3)21(30)14-13-20(23)26/h5-7,9-10,13-15H,8,11-12H2,1-4H3,(H,32,33)