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

Systemtic Name: propyl 2-[[2-(2-propan-2-yloxyphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[[2-(2-isopropoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[2-(2-propan-2-yloxyphenyl)-4-quinolinyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[[2-(2-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-isopropoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C31H32N2O4S MolecularWeight: 528.66178

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5OC(C)C

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5OC(C)C

InChI

InChI=1S/C31H32N2O4S/c1-4-17-36-31(35)28-22-13-7-10-16-27(22)38-30(28)33-29(34)23-18-25(32-24-14-8-5-11-20(23)24)21-12-6-9-15-26(21)37-19(2)3/h5-6,8-9,11-12,14-15,18-19H,4,7,10,13,16-17H2,1-3H3,(H,33,34)