ethyl 2-(naphthalen-2-ylsulfonylamino)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-(naphthalen-2-ylsulfonylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-(2-naphthylsulfonylamino)propanoate CAS Name: 2-(2-naphthalenylsulfonylamino)-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(benzylthio)-2-(2-naphthylsulfonylamino)propionic acid ethyl ester Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H23NO4S2/c1-2-27-22(24)21(16-28-15-17-8-4-3-5-9-17)23-29(25,26)20-13-12-18-10-6-7-11-19(18)14-20/h3-14,21,23H,2,15-16H2,1H3