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

Systemtic Name: 4-(4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-6-thiophen-2-yl-1,6-dihydropyrimidin-3-yl)butanoic acid Openeye Name: 4-[5-benzyloxycarbonyl-4-methyl-2-oxo-6-(2-thienyl)-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-(4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-thiophen-2-yl-1,6-dihydropyrimidin-3-yl)butanoic acid IUPAC Name: 4-(4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-thiophen-2-yl-1,6-dihydropyrimidin-3-yl)butanoic acid Traditional Name: 4-[5-carbobenzoxy-2-keto-4-methyl-6-(2-thienyl)-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CS2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CS2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S/c1-14-18(20(26)28-13-15-7-3-2-4-8-15)19(16-9-6-12-29-16)22-21(27)23(14)11-5-10-17(24)25/h2-4,6-9,12,19H,5,10-11,13H2,1H3,(H,22,27)(H,24,25)