(2S)-N-(2-ethoxyphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(2-ethoxyphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: (2S)-N-(2-ethoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenyl-acetamide CAS Name: (2S)-N-(2-ethoxyphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-(2-ethoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenylacetamide Traditional Name: (2S)-N-o-phenetyl-2-[(1-oxidopyridin-1-ium-2-yl)thio]-2-phenyl-acetamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H20N2O3S/c1-2-26-18-13-7-6-12-17(18)22-21(24)20(16-10-4-3-5-11-16)27-19-14-8-9-15-23(19)25/h3-15,20H,2H2,1H3,(H,22,24)/t20-/m0/s1