2-methylpropyl 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-methylpropyl 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 2-[3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[3-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4-methyl-5-thiazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-[(4,8-dimethyl-2-quinolyl)thio]propanoylamino]-4-methyl-thiazole-5-carboxylic acid isobutyl ester Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=NC(=C(S3)C(=O)OCC(C)C)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=NC(=C(S3)C(=O)OCC(C)C)C

InChI

InChI=1S/C23H27N3O3S2/c1-13(2)12-29-22(28)21-16(5)24-23(31-21)25-18(27)9-10-30-19-11-15(4)17-8-6-7-14(3)20(17)26-19/h6-8,11,13H,9-10,12H2,1-5H3,(H,24,25,27)