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

Systemtic Name: propan-2-yl 2-[[6-bromanyl-2-(3-ethoxyphenyl)quinolin-4-yl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[6-bromo-2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(3-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[6-bromo-2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-m-phenetyl-quinoline-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid isopropyl ester Formula: C29H27BrN2O4S MolecularWeight: 579.50468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCC5)C(=O)OC(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCC5)C(=O)OC(C)C

InChI

InChI=1S/C29H27BrN2O4S/c1-4-35-19-8-5-7-17(13-19)24-15-22(21-14-18(30)11-12-23(21)31-24)27(33)32-28-26(29(34)36-16(2)3)20-9-6-10-25(20)37-28/h5,7-8,11-16H,4,6,9-10H2,1-3H3,(H,32,33)