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

Systemtic Name: diethyl-[2-[(6R)-5-methoxycarbonyl-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[(6R)-5-methoxycarbonyl-6-(4-methoxycarbonylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[(6R)-5-methoxycarbonyl-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[(6R)-5-methoxycarbonyl-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]ethyl]azanium Traditional Name: 2-[(6R)-5-carbomethoxy-6-(4-carbomethoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-3-yl]ethyl-diethyl-ammonium Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-6-23(7-2)12-13-24-14(3)17(20(26)28-5)18(22-21(24)29)15-8-10-16(11-9-15)19(25)27-4/h8-11,18H,6-7,12-13H2,1-5H3,(H,22,29)/p+1/t18-/m1/s1