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

Systemtic Name: 4-[4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-6-(2-thiophen-2-ylcarbonyloxyphenyl)-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-benzyloxycarbonyl-4-methyl-2-oxo-6-[2-(thiophene-2-carbonyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[4-methyl-2-oxo-6-[2-[oxo(thiophen-2-yl)methoxy]phenyl]-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-[2-(thiophene-2-carbonyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbobenzoxy-2-keto-4-methyl-6-[2-(2-thenoyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C28H26N2O7S MolecularWeight: 534.58024

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OC(=O)C3=CC=CS3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O7S/c1-18-24(27(34)36-17-19-9-3-2-4-10-19)25(29-28(35)30(18)15-7-14-23(31)32)20-11-5-6-12-21(20)37-26(33)22-13-8-16-38-22/h2-6,8-13,16,25H,7,14-15,17H2,1H3,(H,29,35)(H,31,32)