4-[(4S)-5-methoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid

Systemtic Name: 4-[(4S)-5-methoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid Openeye Name: 4-[(4S)-5-methoxycarbonyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid CAS Name: 4-[(4S)-5-methoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid IUPAC Name: 4-[(4S)-5-methoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid Traditional Name: 4-[(4S)-5-carbomethoxy-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=CC=C(C=C2)C(=O)O)C(=O)OC

InChI

InChI=1S/C14H14N2O4S/c1-7-10(13(19)20-2)11(16-14(21)15-7)8-3-5-9(6-4-8)12(17)18/h3-6,11H,1-2H3,(H,17,18)(H2,15,16,21)/t11-/m0/s1