methyl 4-[[3-(dimethylcarbamoyl)pyridin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[3-(dimethylcarbamoyl)pyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-(dimethylcarbamoyl)-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-[dimethylamino(oxo)methyl]-2-pyridinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(dimethylcarbamoyl)pyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-(dimethylcarbamoyl)-2-pyridyl]thio]methyl]benzoic acid methyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c1-19(2)16(20)14-5-4-10-18-15(14)23-11-12-6-8-13(9-7-12)17(21)22-3/h4-10H,11H2,1-3H3