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

Systemtic Name: ethyl 2-[[6-bromanyl-2-(4-methoxyphenyl)quinolin-4-yl]carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[6-bromo-2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(4-methoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-bromo-2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C30H29BrN2O4S MolecularWeight: 593.53126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)OC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H29BrN2O4S/c1-4-17-6-12-21-26(14-17)38-29(27(21)30(35)37-5-2)33-28(34)23-16-25(18-7-10-20(36-3)11-8-18)32-24-13-9-19(31)15-22(23)24/h7-11,13,15-17H,4-6,12,14H2,1-3H3,(H,33,34)