methyl 2-[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[4,6-dimethyl-3-(phenylcarbamoyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-[anilino(oxo)methyl]-4,6-dimethyl-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[4,6-dimethyl-3-(phenylcarbamoyl)-2-pyridyl]thio]acetic acid methyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)NC2=CC=CC=C2)SCC(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)NC2=CC=CC=C2)SCC(=O)OC)C

InChI

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