(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)OC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H14N2O4S/c16-15(19)14(11-6-2-1-3-7-11)21-13(18)10-22-12-8-4-5-9-17(12)20/h1-9,14H,10H2,(H2,16,19)