methyl (4S)-4-(2-methylphenyl)-2-oxidanylidene-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(2-methylphenyl)-2-oxidanylidene-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(o-tolyl)-2-oxo-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-methylphenyl)-2-oxo-6-(4-thiomorpholin-4-iumylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2-methylphenyl)-2-oxo-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-(o-tolyl)-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(=C(NC(=O)N2)C[NH+]3CCSCC3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1[C@H]2C(=C(NC(=O)N2)C[NH+]3CCSCC3)C(=O)OC

InChI

InChI=1S/C18H23N3O3S/c1-12-5-3-4-6-13(12)16-15(17(22)24-2)14(19-18(23)20-16)11-21-7-9-25-10-8-21/h3-6,16H,7-11H2,1-2H3,(H2,19,20,23)/p+1/t16-/m0/s1