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

Systemtic Name: methyl 2-[[2-(3-ethoxyphenyl)quinolin-4-yl]carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(3-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(2-m-phenetylquinoline-4-carbonyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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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)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4S/c1-4-31-17-9-7-8-16(13-17)22-14-19(18-10-5-6-11-21(18)26-22)23(28)27-24-20(25(29)30-3)12-15(2)32-24/h5-14H,4H2,1-3H3,(H,27,28)