methyl 4-[(5-ethanoyl-6-methyl-2-oxidanylidene-1H-pyrimidin-4-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5-ethanoyl-6-methyl-2-oxidanylidene-1H-pyrimidin-4-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-acetyl-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-acetyl-6-methyl-2-oxo-1H-pyrimidin-4-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-acetyl-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-acetyl-2-keto-6-methyl-1H-pyrimidin-4-yl)thio]methyl]benzoic acid methyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=CC=C(C=C2)C(=O)OC)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=CC=C(C=C2)C(=O)OC)C(=O)C

InChI

InChI=1S/C16H16N2O4S/c1-9-13(10(2)19)14(18-16(21)17-9)23-8-11-4-6-12(7-5-11)15(20)22-3/h4-7H,8H2,1-3H3,(H,17,18,21)