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

Systemtic Name: 2-methylpropyl 4-methyl-2-(2-quinolin-2-ylsulfanylethanoylamino)-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 4-methyl-2-[[2-(2-quinolylsulfanyl)acetyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]-5-thiazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[2-(2-quinolylthio)acetyl]amino]thiazole-5-carboxylic acid isobutyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CSC2=NC3=CC=CC=C3C=C2)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CSC2=NC3=CC=CC=C3C=C2)C(=O)OCC(C)C

InChI

InChI=1S/C20H21N3O3S2/c1-12(2)10-26-19(25)18-13(3)21-20(28-18)23-16(24)11-27-17-9-8-14-6-4-5-7-15(14)22-17/h4-9,12H,10-11H2,1-3H3,(H,21,23,24)