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

Systemtic Name: (phenylmethyl) 4-methyl-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=NC(=C(S3)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=NC(=C(S3)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3O3S2/c1-16-14-22(27-20-11-7-6-10-19(16)20)32-13-12-21(29)28-25-26-17(2)23(33-25)24(30)31-15-18-8-4-3-5-9-18/h3-11,14H,12-13,15H2,1-2H3,(H,26,28,29)