prop-2-enyl 4-methyl-2-[2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: prop-2-enyl 4-methyl-2-[2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: allyl 4-methyl-2-[[2-(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)acetyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]ethyl]amino]-5-thiazolecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-methyl-2-[[2-(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid allyl ester Formula: C28H26N4O4S2 MolecularWeight: 546.66044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC=C

InChI

InChI=1S/C28H26N4O4S2/c1-3-15-36-26(35)25-19(2)29-27(38-25)31-23(33)18-32-24(34)17-22(21-12-8-5-9-13-21)30-28(32)37-16-14-20-10-6-4-7-11-20/h3-13,17H,1,14-16,18H2,2H3,(H,29,31,33)