[(1R)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [(1R)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [(1R)-2-(2-ethoxyanilino)-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 [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [(1R)-2-keto-2-(o-phenetidino)-1-phenyl-ethyl] ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C23H22N2O5S/c1-2-29-19-13-7-6-12-18(19)24-23(27)22(17-10-4-3-5-11-17)30-21(26)16-31-20-14-8-9-15-25(20)28/h3-15,22H,2,16H2,1H3,(H,24,27)/t22-/m1/s1