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

Systemtic Name: propan-2-yl 4-methyl-2-(2-quinolin-2-ylsulfanylpropanoylamino)-1,3-thiazole-5-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S2/c1-11(2)26-19(25)17-12(3)21-20(28-17)23-18(24)13(4)27-16-10-9-14-7-5-6-8-15(14)22-16/h5-11,13H,1-4H3,(H,21,23,24)