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

Systemtic Name: propan-2-yl 4-cyano-5-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[2-(4-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(2-p-phenetylquinoline-4-carbonyl)amino]thiophene-2-carboxylic acid isopropyl ester Formula: C28H25N3O4S MolecularWeight: 499.5808

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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(=C(S4)C(=O)OC(C)C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O4S/c1-5-34-19-12-10-18(11-13-19)24-14-21(20-8-6-7-9-23(20)30-24)26(32)31-27-22(15-29)17(4)25(36-27)28(33)35-16(2)3/h6-14,16H,5H2,1-4H3,(H,31,32)