azane; (phenylmethyl) 4-chloranyl-3-oxidanyl-2-(phenylsulfanylmethyl)butanoate

Systemtic Name: azane; (phenylmethyl) 4-chloranyl-3-oxidanyl-2-(phenylsulfanylmethyl)butanoate Openeye Name: ammonia; benzyl 4-chloro-3-hydroxy-2-(phenylsulfanylmethyl)butanoate CAS Name: ammonia; 4-chloro-3-hydroxy-2-[(phenylthio)methyl]butanoic acid (phenylmethyl) ester IUPAC Name: azane; benzyl 4-chloro-3-hydroxy-2-(phenylsulfanylmethyl)butanoate Traditional Name: ammonia; 4-chloro-3-hydroxy-2-[(phenylthio)methyl]butyric acid benzyl ester Formula: C18H22ClNO3S MolecularWeight: 367.89018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CSC2=CC=CC=C2)C(CCl)O.N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CSC2=CC=CC=C2)C(CCl)O.N

InChI

InChI=1S/C18H19ClO3S.H3N/c19-11-17(20)16(13-23-15-9-5-2-6-10-15)18(21)22-12-14-7-3-1-4-8-14;/h1-10,16-17,20H,11-13H2;1H3