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

Systemtic Name: propan-2-yl 2-[[6-bromanyl-2-(4-ethylphenyl)quinolin-4-yl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[6-bromo-2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(4-ethylphenyl)-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-(4-ethylphenyl)quinoline-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid isopropyl ester Formula: C29H27BrN2O3S MolecularWeight: 563.50528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=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

CCC1=CC=C(C=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/C29H27BrN2O3S/c1-4-17-8-10-18(11-9-17)24-15-22(21-14-19(30)12-13-23(21)31-24)27(33)32-28-26(29(34)35-16(2)3)20-6-5-7-25(20)36-28/h8-16H,4-7H2,1-3H3,(H,32,33)