methyl (4S)-4-(2,5-dimethylphenyl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2,5-dimethylphenyl)-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2,5-dimethylphenyl)-2-keto-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H20N4O3S2 MolecularWeight: 404.5064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CSC3=NN=C(S3)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H]2C(=C(NC(=O)N2)CSC3=NN=C(S3)C)C(=O)OC

InChI

InChI=1S/C18H20N4O3S2/c1-9-5-6-10(2)12(7-9)15-14(16(23)25-4)13(19-17(24)20-15)8-26-18-22-21-11(3)27-18/h5-7,15H,8H2,1-4H3,(H2,19,20,24)/t15-/m0/s1