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

Systemtic Name: prop-2-enyl 4-methyl-2-(3-quinolin-2-ylsulfanylpropanoylamino)-1,3-thiazole-5-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S2/c1-3-11-26-19(25)18-13(2)21-20(28-18)23-16(24)10-12-27-17-9-8-14-6-4-5-7-15(14)22-17/h3-9H,1,10-12H2,2H3,(H,21,23,24)