prop-2-enyl 4-methyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: prop-2-enyl 4-methyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: allyl 4-methyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[3-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-5-thiazolecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-methyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[3-[(6-methylpyrimidin-4-yl)thio]propanoylamino]thiazole-5-carboxylic acid allyl ester Formula: C16H18N4O3S2 MolecularWeight: 378.46912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SCCC(=O)NC2=NC(=C(S2)C(=O)OCC=C)C

Isomeric SMILES

CC1=CC(=NC=N1)SCCC(=O)NC2=NC(=C(S2)C(=O)OCC=C)C

InChI

InChI=1S/C16H18N4O3S2/c1-4-6-23-15(22)14-11(3)19-16(25-14)20-12(21)5-7-24-13-8-10(2)17-9-18-13/h4,8-9H,1,5-7H2,2-3H3,(H,19,20,21)