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

Systemtic Name: 2-methylpropyl 4-methyl-2-(2-quinolin-2-ylsulfanylpropanoylamino)-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-12(2)11-27-20(26)18-13(3)22-21(29-18)24-19(25)14(4)28-17-10-9-15-7-5-6-8-16(15)23-17/h5-10,12,14H,11H2,1-4H3,(H,22,24,25)