4-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid

Systemtic Name: 4-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid Openeye Name: 4-(5-ethoxycarbonyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid CAS Name: 4-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid IUPAC Name: 4-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid Traditional Name: 4-(5-carbethoxy-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4S/c1-3-21-14(20)11-8(2)16-15(22)17-12(11)9-4-6-10(7-5-9)13(18)19/h4-7,12H,3H2,1-2H3,(H,18,19)(H2,16,17,22)