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

Systemtic Name: prop-2-enyl 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: allyl 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]butyl]amino]-5-thiazolecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(6-phenylpyrimidin-4-yl)thio]butanoylamino]thiazole-5-carboxylic acid allyl ester Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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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)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC=C)C)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3S2/c1-4-11-29-21(28)19-14(3)25-22(31-19)26-20(27)17(5-2)30-18-12-16(23-13-24-18)15-9-7-6-8-10-15/h4,6-10,12-13,17H,1,5,11H2,2-3H3,(H,25,26,27)