methyl (Z)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate

Systemtic Name: methyl (Z)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate Openeye Name: methyl (Z)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4-oxo-2-thioxo-1H-pyrimidin-6-yl)prop-2-enoate CAS Name: (Z)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate Traditional Name: (Z)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4-keto-2-thioxo-1H-pyrimidin-6-yl)acrylic acid methyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C2=CC(=O)NC(=S)N2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(/C2=CC(=O)NC(=S)N2)\C(=O)OC

InChI

InChI=1S/C22H28N2O4S/c1-21(2,3)14-9-12(10-15(18(14)26)22(4,5)6)8-13(19(27)28-7)16-11-17(25)24-20(29)23-16/h8-11,26H,1-7H3,(H2,23,24,25,29)/b13-8-