methyl 4-[(1-methyl-6-oxidanylidene-4-propan-2-yl-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(1-methyl-6-oxidanylidene-4-propan-2-yl-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-isopropyl-1-methyl-6-oxo-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-methyl-6-oxo-4-propan-2-yl-2-pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-methyl-6-oxo-4-propan-2-ylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-isopropyl-6-keto-1-methyl-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N(C(=N1)SCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC(C)C1=CC(=O)N(C(=N1)SCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C17H20N2O3S/c1-11(2)14-9-15(20)19(3)17(18-14)23-10-12-5-7-13(8-6-12)16(21)22-4/h5-9,11H,10H2,1-4H3