2-[(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methylthio]benzoic acid IUPAC Name: 2-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methylthio]benzoic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H16N2O5S/c1-2-22-14(20)10-7-16-15(21)17-11(10)8-23-12-6-4-3-5-9(12)13(18)19/h3-6H,2,7-8H2,1H3,(H,18,19)(H2,16,17,21)