methyl 4-[[2-(3-chloranylpyridin-2-yl)sulfanylpropanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(3-chloranylpyridin-2-yl)sulfanylpropanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[(3-chloro-2-pyridyl)sulfanyl]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[(3-chloro-2-pyridinyl)thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-chloropyridin-2-yl)sulfanylpropanoylamino]methyl]benzoate Traditional Name: 4-[[2-[(3-chloro-2-pyridyl)thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=C(C=CC=N2)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=C(C=CC=N2)Cl

InChI

InChI=1S/C17H17ClN2O3S/c1-11(24-16-14(18)4-3-9-19-16)15(21)20-10-12-5-7-13(8-6-12)17(22)23-2/h3-9,11H,10H2,1-2H3,(H,20,21)