(2S)-2-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate

Systemtic Name: (2S)-2-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: (2S)-2-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: (2S)-2-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]propanoate IUPAC Name: (2S)-2-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: (2S)-2-[[5-(4-chlorobenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]propionate Formula: C15H14ClN2O3S- MolecularWeight: 337.80126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)[O-])CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)S[C@@H](C)C(=O)[O-])CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H15ClN2O3S/c1-8-12(7-10-3-5-11(16)6-4-10)13(19)18-15(17-8)22-9(2)14(20)21/h3-6,9H,7H2,1-2H3,(H,20,21)(H,17,18,19)/p-1/t9-/m0/s1