[2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-(1,2-diphenylethylamino)-2-oxo-ethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [2-(1,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [2-(1,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)COC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)COC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C23H22N2O4S/c26-21(16-29-23(27)17-30-22-13-7-8-14-25(22)28)24-20(19-11-5-2-6-12-19)15-18-9-3-1-4-10-18/h1-14,20H,15-17H2,(H,24,26)