[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](C)CC2=CC=C(C=C2)SC)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+](C)CC2=CC=C(C=C2)SC)C(=O)OCC

InChI

InChI=1S/C19H27N3O3S/c1-5-15-17(18(23)25-6-2)16(21-19(24)20-15)12-22(3)11-13-7-9-14(26-4)10-8-13/h7-10,15H,5-6,11-12H2,1-4H3,(H2,20,21,24)/p+1/t15-/m0/s1