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

Systemtic Name: propan-2-yl 4-cyano-5-[[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-5-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[2-(3,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-5-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OC(C)C)C)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OC(C)C)C)C#N)C

InChI

InChI=1S/C28H25N3O3S/c1-15(2)34-28(33)25-18(5)22(14-29)27(35-25)31-26(32)21-13-24(19-11-10-16(3)17(4)12-19)30-23-9-7-6-8-20(21)23/h6-13,15H,1-5H3,(H,31,32)