ethyl 4-methyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)-1,3-thiazole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H21N3O3S2/c1-4-15(27-16-11-10-13-8-6-7-9-14(13)22-16)18(24)23-20-21-12(3)17(28-20)19(25)26-5-2/h6-11,15H,4-5H2,1-3H3,(H,21,23,24)