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

Systemtic Name: ethyl 2-[[2-(4-ethylphenyl)-8-methyl-quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-ethylphenyl)-8-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(4-ethylphenyl)-8-methyl-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-ethylphenyl)-8-methylquinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-ethylphenyl)-8-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C30H30N2O3S MolecularWeight: 498.6358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C30H30N2O3S/c1-4-19-13-15-20(16-14-19)24-17-23(21-11-8-9-18(3)27(21)31-24)28(33)32-29-26(30(34)35-5-2)22-10-6-7-12-25(22)36-29/h8-9,11,13-17H,4-7,10,12H2,1-3H3,(H,32,33)