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

Systemtic Name: 2-methylpropyl 4-methyl-2-[2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C29H30N4O4S2 MolecularWeight: 562.7029

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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)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)C

InChI

InChI=1S/C29H30N4O4S2/c1-19(2)18-37-27(36)26-20(3)30-28(39-26)32-24(34)17-33-25(35)16-23(22-12-8-5-9-13-22)31-29(33)38-15-14-21-10-6-4-7-11-21/h4-13,16,19H,14-15,17-18H2,1-3H3,(H,30,32,34)