2-[[(4R)-5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[(4R)-5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[(4R)-5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[(4R)-5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[(4R)-5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[(4R)-5-carbethoxy-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]thio]acetic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=N[C@@H]1C2=CC=CC=C2)SCC(=O)O)C

InChI

InChI=1S/C16H18N2O4S/c1-3-22-15(21)13-10(2)17-16(23-9-12(19)20)18-14(13)11-7-5-4-6-8-11/h4-8,14H,3,9H2,1-2H3,(H,17,18)(H,19,20)/t14-/m1/s1