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

Systemtic Name: prop-2-enyl 4-methyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: allyl 4-methyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-5-thiazolecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-methyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(6-methylpyrimidin-4-yl)thio]butanoylamino]thiazole-5-carboxylic acid allyl ester Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3S2/c1-5-7-24-16(23)14-11(4)20-17(26-14)21-15(22)12(6-2)25-13-8-10(3)18-9-19-13/h5,8-9,12H,1,6-7H2,2-4H3,(H,20,21,22)