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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[2-(4-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(2-p-phenetylquinoline-4-carbonyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C30H23BrN2O4S MolecularWeight: 587.48362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)OC

InChI

InChI=1S/C30H23BrN2O4S/c1-3-37-21-14-10-19(11-15-21)26-16-23(22-6-4-5-7-25(22)32-26)28(34)33-29-27(30(35)36-2)24(17-38-29)18-8-12-20(31)13-9-18/h4-17H,3H2,1-2H3,(H,33,34)