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

Systemtic Name: 2-methylpropyl 4-methyl-2-(3-quinolin-2-ylsulfanylpropanoylamino)-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 4-methyl-2-[3-(2-quinolylsulfanyl)propanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-3-(2-quinolinylthio)propyl]amino]-5-thiazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-2-(3-quinolin-2-ylsulfanylpropanoylamino)-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[3-(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)CCSC2=NC3=CC=CC=C3C=C2)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCSC2=NC3=CC=CC=C3C=C2)C(=O)OCC(C)C

InChI

InChI=1S/C21H23N3O3S2/c1-13(2)12-27-20(26)19-14(3)22-21(29-19)24-17(25)10-11-28-18-9-8-15-6-4-5-7-16(15)23-18/h4-9,13H,10-12H2,1-3H3,(H,22,24,25)