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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SC)CC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SC)CC2=CC=C(C=C2)C(=O)OC(C)C

InChI

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