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

Systemtic Name: (phenylmethyl) 4-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: benzyl 4-methyl-2-[2-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(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)SC(C)C(=O)NC3=NC(=C(S3)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3S2/c1-15-13-21(27-20-12-8-7-11-19(15)20)32-17(3)23(29)28-25-26-16(2)22(33-25)24(30)31-14-18-9-5-4-6-10-18/h4-13,17H,14H2,1-3H3,(H,26,28,29)