(6-chloranylpyridin-3-yl)methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: (6-chloro-3-pyridyl)methyl 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid (6-chloro-3-pyridyl)methyl ester Formula: C15H13ClN2O3S MolecularWeight: 336.79332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CN=C(C=C2)Cl)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CN=C(C=C2)Cl)SCC(=O)N

InChI

InChI=1S/C15H13ClN2O3S/c16-13-6-5-10(7-18-13)8-21-15(20)11-3-1-2-4-12(11)22-9-14(17)19/h1-7H,8-9H2,(H2,17,19)