methyl 2-[[2-(3-ethoxyphenyl)quinolin-4-yl]carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(3-ethoxyphenyl)quinolin-4-yl]carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[2-(3-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-m-phenetylquinoline-4-carbonyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C31H26N2O4S MolecularWeight: 522.61414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C31H26N2O4S/c1-3-37-22-13-9-12-21(17-22)28-19-25(24-14-7-8-15-27(24)32-28)29(34)33-30-26(31(35)36-2)18-23(38-30)16-20-10-5-4-6-11-20/h4-15,17-19H,3,16H2,1-2H3,(H,33,34)