ethyl 2-[[2-(3-methoxyphenyl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(3-methoxyphenyl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[2-(3-methoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C28H22N2O4S MolecularWeight: 482.55028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OC

InChI

InChI=1S/C28H22N2O4S/c1-3-34-28(32)25-20-12-5-7-14-24(20)35-27(25)30-26(31)21-16-23(17-9-8-10-18(15-17)33-2)29-22-13-6-4-11-19(21)22/h4-16H,3H2,1-2H3,(H,30,31)