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

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

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC(=CC=C5)OC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC(=CC=C5)OC(C)C

InChI

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