(6-chloranylpyridin-3-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (6-chloro-3-pyridyl)methyl 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid (6-chloro-3-pyridyl)methyl ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC2=CN=C(C=C2)Cl

Isomeric SMILES

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC2=CN=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2O4S/c1-24-9-8-20-17(22)12-26-15-5-3-2-4-14(15)18(23)25-11-13-6-7-16(19)21-10-13/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)