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

Systemtic Name: methyl (4S)-4-(2,4-dimethylphenyl)-2-oxidanylidene-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2,4-dimethylphenyl)-2-oxo-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2,4-dimethylphenyl)-2-oxo-6-(4-thiomorpholin-4-iumylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2,4-dimethylphenyl)-2-oxo-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2,4-dimethylphenyl)-2-keto-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2C(=C(NC(=O)N2)C[NH+]3CCSCC3)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-12-4-5-14(13(2)10-12)17-16(18(23)25-3)15(20-19(24)21-17)11-22-6-8-26-9-7-22/h4-5,10,17H,6-9,11H2,1-3H3,(H2,20,21,24)/p+1/t17-/m0/s1