methyl 4-[2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]ethyl]benzoate CAS Name: 4-[2-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(methylthio)nicotinoyl]amino]ethyl]benzoic acid methyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C17H18N2O3S/c1-22-17(21)13-7-5-12(6-8-13)9-11-18-15(20)14-4-3-10-19-16(14)23-2/h3-8,10H,9,11H2,1-2H3,(H,18,20)