(phenylmethyl) 4-methyl-2-[2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: (phenylmethyl) 4-methyl-2-[2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: benzyl 4-methyl-2-[2-(4-methyl-2-oxo-1-quinolyl)butanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-(4-methyl-2-oxo-1-quinolinyl)-1-oxobutyl]amino]-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-[2-(4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(2-keto-4-methyl-1-quinolyl)butanoylamino]-4-methyl-thiazole-5-carboxylic acid benzyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C)N3C4=CC=CC=C4C(=CC3=O)C

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C)N3C4=CC=CC=C4C(=CC3=O)C

InChI

InChI=1S/C26H25N3O4S/c1-4-20(29-21-13-9-8-12-19(21)16(2)14-22(29)30)24(31)28-26-27-17(3)23(34-26)25(32)33-15-18-10-6-5-7-11-18/h5-14,20H,4,15H2,1-3H3,(H,27,28,31)