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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C

InChI

InChI=1S/C30H29BrN2O4S/c1-4-36-25-11-7-5-9-19(25)24-16-22(21-15-18(31)13-14-23(21)32-24)28(34)33-29-27(30(35)37-17(2)3)20-10-6-8-12-26(20)38-29/h5,7,9,11,13-17H,4,6,8,10,12H2,1-3H3,(H,33,34)