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

Systemtic Name: ethyl 2-[[2-(5-ethylthiophen-2-yl)quinolin-4-yl]carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(5-ethyl-2-thienyl)quinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(5-ethyl-2-thiophenyl)-4-quinolinyl]-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-ethylthiophen-2-yl)quinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(5-ethyl-2-thienyl)quinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H28N2O3S2 MolecularWeight: 504.66352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C(=O)OCC

InChI

InChI=1S/C28H28N2O3S2/c1-4-17-11-13-23(34-17)22-15-20(18-8-6-7-9-21(18)29-22)26(31)30-27-25(28(32)33-5-2)19-12-10-16(3)14-24(19)35-27/h6-9,11,13,15-16H,4-5,10,12,14H2,1-3H3,(H,30,31)