ethyl 2-ethylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate

Systemtic Name: ethyl 2-ethylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate Openeye Name: ethyl 2-ethylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate CAS Name: 2-(ethylthio)-6-methyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate Traditional Name: 2-(ethylthio)-6-methyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester Formula: C16H21N2O2S+ MolecularWeight: 305.41514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=[NH+]C1C2=CC=CC=C2)SCC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=[NH+]C1C2=CC=CC=C2)SCC)C

InChI

InChI=1S/C16H20N2O2S/c1-4-20-15(19)13-11(3)17-16(21-5-2)18-14(13)12-9-7-6-8-10-12/h6-10,14H,4-5H2,1-3H3,(H,17,18)/p+1