(phenylmethyl) 4-methyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: (phenylmethyl) 4-methyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)-1,3-thiazole-5-carboxylate Openeye Name: benzyl 4-methyl-2-[2-(2-quinolylsulfanyl)butanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-(2-quinolinylthio)butyl]amino]-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-(2-quinolylthio)butanoylamino]thiazole-5-carboxylic acid benzyl ester Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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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=CC=CC=C4C=C3

Isomeric SMILES

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

InChI

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