methyl 3-[(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4-ethyl-1-methyl-6-oxo-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-ethyl-1-methyl-6-oxo-2-pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-ethyl-6-keto-1-methyl-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N(C(=N1)SCC2=CC=CC(=C2)C(=O)OC)C

Isomeric SMILES

CCC1=CC(=O)N(C(=N1)SCC2=CC=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C16H18N2O3S/c1-4-13-9-14(19)18(2)16(17-13)22-10-11-6-5-7-12(8-11)15(20)21-3/h5-9H,4,10H2,1-3H3