2-[(5-ethoxycarbonyl-3-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidin-4-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(5-ethoxycarbonyl-3-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidin-4-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(5-ethoxycarbonyl-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidin-4-yl)methylsulfanyl]acetic acid CAS Name: 2-[(5-ethoxycarbonyl-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidin-4-yl)methylthio]acetic acid IUPAC Name: 2-[(5-ethoxycarbonyl-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidin-4-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(5-carbethoxy-2-keto-3-methyl-6-phenyl-1,6-dihydropyrimidin-4-yl)methylthio]acetic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)CSCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)CSCC(=O)O

InChI

InChI=1S/C17H20N2O5S/c1-3-24-16(22)14-12(9-25-10-13(20)21)19(2)17(23)18-15(14)11-7-5-4-6-8-11/h4-8,15H,3,9-10H2,1-2H3,(H,18,23)(H,20,21)