ethyl 2-[[8-methyl-2-(4-propoxyphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[8-methyl-2-(4-propoxyphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[8-methyl-2-(4-propoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[8-methyl-2-(4-propoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[8-methyl-2-(4-propoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[8-methyl-2-(4-propoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C31H32N2O4S MolecularWeight: 528.66178

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OCC

InChI

InChI=1S/C31H32N2O4S/c1-4-17-37-21-15-13-20(14-16-21)25-18-24(22-11-8-9-19(3)28(22)32-25)29(34)33-30-27(31(35)36-5-2)23-10-6-7-12-26(23)38-30/h8-9,11,13-16,18H,4-7,10,12,17H2,1-3H3,(H,33,34)