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

Systemtic Name: propan-2-yl 2-[[2-(3-butoxyphenyl)quinolin-4-yl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(3-butoxyphenyl)quinoline-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[2-(3-butoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(3-butoxyphenyl)quinoline-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(3-butoxyphenyl)quinoline-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid isopropyl ester Formula: C31H32N2O4S MolecularWeight: 528.66178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCC5)C(=O)OC(C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCC5)C(=O)OC(C)C

InChI

InChI=1S/C31H32N2O4S/c1-4-5-16-36-21-11-8-10-20(17-21)26-18-24(22-12-6-7-14-25(22)32-26)29(34)33-30-28(31(35)37-19(2)3)23-13-9-15-27(23)38-30/h6-8,10-12,14,17-19H,4-5,9,13,15-16H2,1-3H3,(H,33,34)