propan-2-yl 2-[[2-(3-butoxyphenyl)-6-methyl-quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[2-(3-butoxyphenyl)-6-methyl-quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(3-butoxyphenyl)-6-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(3-butoxyphenyl)-6-methyl-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(3-butoxyphenyl)-6-methylquinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-butoxyphenyl)-6-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C33H36N2O4S MolecularWeight: 556.71494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C

InChI

InChI=1S/C33H36N2O4S/c1-5-6-16-38-23-11-9-10-22(18-23)28-19-26(25-17-21(4)14-15-27(25)34-28)31(36)35-32-30(33(37)39-20(2)3)24-12-7-8-13-29(24)40-32/h9-11,14-15,17-20H,5-8,12-13,16H2,1-4H3,(H,35,36)