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

Systemtic Name: 2-methylpropyl 4-methyl-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 4-methyl-2-[3-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[3-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-5-thiazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[3-[(4-methyl-2-quinolyl)thio]propanoylamino]thiazole-5-carboxylic acid isobutyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=NC(=C(S3)C(=O)OCC(C)C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=NC(=C(S3)C(=O)OCC(C)C)C

InChI

InChI=1S/C22H25N3O3S2/c1-13(2)12-28-21(27)20-15(4)23-22(30-20)25-18(26)9-10-29-19-11-14(3)16-7-5-6-8-17(16)24-19/h5-8,11,13H,9-10,12H2,1-4H3,(H,23,25,26)