diethyl-[2-[(6R)-5-methoxycarbonyl-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[(6R)-5-methoxycarbonyl-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[(6R)-5-methoxycarbonyl-4-methyl-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[(6R)-5-methoxycarbonyl-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[(6R)-5-methoxycarbonyl-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]ethyl]azanium Traditional Name: 2-[(6R)-5-carbomethoxy-4-methyl-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidin-3-yl]ethyl-diethyl-ammonium Formula: C19H27N4O4S+ MolecularWeight: 407.50708

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC[NH+](CC)CCN1C(=C([C@H](NC1=S)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C19H26N4O4S/c1-5-21(6-2)11-12-22-13(3)16(18(24)27-4)17(20-19(22)28)14-7-9-15(10-8-14)23(25)26/h7-10,17H,5-6,11-12H2,1-4H3,(H,20,28)/p+1/t17-/m1/s1