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

Systemtic Name: 2-[[(4S)-5-ethoxycarbonyl-4-(4-methylsulfanylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[(4S)-5-ethoxycarbonyl-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[(4S)-5-ethoxycarbonyl-4-[4-(methylthio)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methylthio]benzoic acid IUPAC Name: 2-[[(4S)-5-ethoxycarbonyl-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[[(4S)-5-carbethoxy-2-keto-4-[4-(methylthio)phenyl]-3,4-dihydro-1H-pyrimidin-6-yl]methylthio]benzoic acid Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)SC)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)SC)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H22N2O5S2/c1-3-29-21(27)18-16(12-31-17-7-5-4-6-15(17)20(25)26)23-22(28)24-19(18)13-8-10-14(30-2)11-9-13/h4-11,19H,3,12H2,1-2H3,(H,25,26)(H2,23,24,28)/t19-/m0/s1