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

Systemtic Name: (phenylmethyl) 4-methyl-2-(2-quinolin-2-ylsulfanylpropanoylamino)-1,3-thiazole-5-carboxylate Openeye Name: benzyl 4-methyl-2-[2-(2-quinolylsulfanyl)propanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-(2-quinolinylthio)propyl]amino]-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-(2-quinolin-2-ylsulfanylpropanoylamino)-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-(2-quinolylthio)propanoylamino]thiazole-5-carboxylic acid benzyl ester Formula: C24H21N3O3S2 MolecularWeight: 463.57184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C(C)SC2=NC3=CC=CC=C3C=C2)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C(C)SC2=NC3=CC=CC=C3C=C2)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O3S2/c1-15-21(23(29)30-14-17-8-4-3-5-9-17)32-24(25-15)27-22(28)16(2)31-20-13-12-18-10-6-7-11-19(18)26-20/h3-13,16H,14H2,1-2H3,(H,25,27,28)