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

Systemtic Name: methyl 2-[[2-(3-propan-2-yloxyphenyl)quinolin-4-yl]carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-isopropoxyphenyl)quinoline-4-carbonyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[oxo-[2-(3-propan-2-yloxyphenyl)-4-quinolinyl]methyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(3-isopropoxyphenyl)quinoline-4-carbonyl]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C29H27N3O4S2 MolecularWeight: 545.67238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=C(C5=C(S4)CCC5)C(=O)OC

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=C(C5=C(S4)CCC5)C(=O)OC

InChI

InChI=1S/C29H27N3O4S2/c1-16(2)36-18-9-6-8-17(14-18)23-15-21(19-10-4-5-12-22(19)30-23)26(33)31-29(37)32-27-25(28(34)35-3)20-11-7-13-24(20)38-27/h4-6,8-10,12,14-16H,7,11,13H2,1-3H3,(H2,31,32,33,37)