methyl (2S,4R)-4-ethanoylsulfanyl-1-naphthalen-2-ylsulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-ethanoylsulfanyl-1-naphthalen-2-ylsulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-acetylsulfanyl-1-(2-naphthylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-(acetylthio)-1-(2-naphthalenylsulfonyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-acetylsulfanyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-(acetylthio)-1-(2-naphthylsulfonyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)OC

Isomeric SMILES

CC(=O)S[C@@H]1C[C@H](N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)OC

InChI

InChI=1S/C18H19NO5S2/c1-12(20)25-15-10-17(18(21)24-2)19(11-15)26(22,23)16-8-7-13-5-3-4-6-14(13)9-16/h3-9,15,17H,10-11H2,1-2H3/t15-,17+/m1/s1