4-[4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid

Systemtic Name: 4-[4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-benzyloxycarbonyl-4-methyl-2-oxo-6-[2-(p-tolylsulfonyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbobenzoxy-2-keto-4-methyl-6-(2-tosyloxyphenyl)-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C30H30N2O8S MolecularWeight: 578.6328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3C(=C(N(C(=O)N3)CCCC(=O)O)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3C(=C(N(C(=O)N3)CCCC(=O)O)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H30N2O8S/c1-20-14-16-23(17-15-20)41(37,38)40-25-12-7-6-11-24(25)28-27(29(35)39-19-22-9-4-3-5-10-22)21(2)32(30(36)31-28)18-8-13-26(33)34/h3-7,9-12,14-17,28H,8,13,18-19H2,1-2H3,(H,31,36)(H,33,34)