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

Systemtic Name: 6-[5-ethoxycarbonyl-4-methyl-2-oxidanylidene-6-(2-thiophen-2-ylcarbonyloxyphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[5-ethoxycarbonyl-4-methyl-2-oxo-6-[2-(thiophene-2-carbonyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[5-ethoxycarbonyl-4-methyl-2-oxo-6-[2-[oxo(thiophen-2-yl)methoxy]phenyl]-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[5-ethoxycarbonyl-4-methyl-2-oxo-6-[2-(thiophene-2-carbonyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[5-carbethoxy-2-keto-4-methyl-6-[2-(2-thenoyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C25H28N2O7S MolecularWeight: 500.56402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OC(=O)C3=CC=CS3)CCCCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OC(=O)C3=CC=CS3)CCCCCC(=O)O)C

InChI

InChI=1S/C25H28N2O7S/c1-3-33-24(31)21-16(2)27(14-8-4-5-13-20(28)29)25(32)26-22(21)17-10-6-7-11-18(17)34-23(30)19-12-9-15-35-19/h6-7,9-12,15,22H,3-5,8,13-14H2,1-2H3,(H,26,32)(H,28,29)