methyl 2-[(2-azanylpyridin-3-yl)-(2-methylphenyl)methyl]sulfanylethanoate

Systemtic Name: methyl 2-[(2-azanylpyridin-3-yl)-(2-methylphenyl)methyl]sulfanylethanoate Openeye Name: methyl 2-[(2-amino-3-pyridyl)-(o-tolyl)methyl]sulfanylacetate CAS Name: 2-[[(2-amino-3-pyridinyl)-(2-methylphenyl)methyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2-aminopyridin-3-yl)-(2-methylphenyl)methyl]sulfanylacetate Traditional Name: 2-[[(2-amino-3-pyridyl)-(o-tolyl)methyl]thio]acetic acid methyl ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=C(N=CC=C2)N)SCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(C2=C(N=CC=C2)N)SCC(=O)OC

InChI

InChI=1S/C16H18N2O2S/c1-11-6-3-4-7-12(11)15(21-10-14(19)20-2)13-8-5-9-18-16(13)17/h3-9,15H,10H2,1-2H3,(H2,17,18)