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

Systemtic Name: (phenylmethyl) 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: benzyl 2-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxobutyl]amino]-4-methyl-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[(4,8-dimethyl-2-quinolyl)thio]butanoylamino]-4-methyl-thiazole-5-carboxylic acid benzyl ester Formula: C27H27N3O3S2 MolecularWeight: 505.65158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C)SC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C)SC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C27H27N3O3S2/c1-5-21(34-22-14-17(3)20-13-9-10-16(2)23(20)29-22)25(31)30-27-28-18(4)24(35-27)26(32)33-15-19-11-7-6-8-12-19/h6-14,21H,5,15H2,1-4H3,(H,28,30,31)