4-[5-methoxycarbonyl-4-methyl-2-oxidanylidene-6-(2-thiophen-2-ylcarbonyloxyphenyl)-1,6-dihydropyrimidin-3-yl]butanoic acid

Systemtic Name: 4-[5-methoxycarbonyl-4-methyl-2-oxidanylidene-6-(2-thiophen-2-ylcarbonyloxyphenyl)-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-methoxycarbonyl-4-methyl-2-oxo-6-[2-(thiophene-2-carbonyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[5-methoxycarbonyl-4-methyl-2-oxo-6-[2-[oxo(thiophen-2-yl)methoxy]phenyl]-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[5-methoxycarbonyl-4-methyl-2-oxo-6-[2-(thiophene-2-carbonyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbomethoxy-2-keto-4-methyl-6-[2-(2-thenoyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OC(=O)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OC(=O)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C22H22N2O7S/c1-13-18(21(28)30-2)19(23-22(29)24(13)11-5-10-17(25)26)14-7-3-4-8-15(14)31-20(27)16-9-6-12-32-16/h3-4,6-9,12,19H,5,10-11H2,1-2H3,(H,23,29)(H,25,26)