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

Systemtic Name: prop-2-enyl 4-methyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)-1,3-thiazole-5-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S2/c1-4-12-27-20(26)18-13(3)22-21(29-18)24-19(25)16(5-2)28-17-11-10-14-8-6-7-9-15(14)23-17/h4,6-11,16H,1,5,12H2,2-3H3,(H,22,24,25)