methyl 2-[[2-(3-butoxyphenyl)quinolin-4-yl]carbonylamino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 2-[[2-(3-butoxyphenyl)quinolin-4-yl]carbonylamino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 2-[[2-(3-butoxyphenyl)quinoline-4-carbonyl]amino]-7-methoxy-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 2-[[[2-(3-butoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-butoxyphenyl)quinoline-4-carbonyl]amino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 2-[[2-(3-butoxyphenyl)quinoline-4-carbonyl]amino]-7-methoxy-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C35H32N2O5S MolecularWeight: 592.70398

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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)CCC6=C5C=CC(=C6)OC)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCC6=C5C=CC(=C6)OC)C(=O)OC

InChI

InChI=1S/C35H32N2O5S/c1-4-5-17-42-24-10-8-9-22(19-24)29-20-27(26-11-6-7-12-28(26)36-29)33(38)37-34-32(35(39)41-3)31-25-15-14-23(40-2)18-21(25)13-16-30(31)43-34/h6-12,14-15,18-20H,4-5,13,16-17H2,1-3H3,(H,37,38)