2-azanyl-2-[2-[(3-chlorophenyl)methoxy]-1-oxidanyl-1-phenylsulfanyl-ethyl]-5-methyl-hex-4-enoic acid

Systemtic Name: 2-azanyl-2-[2-[(3-chlorophenyl)methoxy]-1-oxidanyl-1-phenylsulfanyl-ethyl]-5-methyl-hex-4-enoic acid Openeye Name: 2-amino-2-[2-[(3-chlorophenyl)methoxy]-1-hydroxy-1-phenylsulfanyl-ethyl]-5-methyl-hex-4-enoic acid CAS Name: 2-amino-2-[2-[(3-chlorophenyl)methoxy]-1-hydroxy-1-(phenylthio)ethyl]-5-methyl-4-hexenoic acid IUPAC Name: 2-amino-2-[2-[(3-chlorophenyl)methoxy]-1-hydroxy-1-phenylsulfanylethyl]-5-methylhex-4-enoic acid Traditional Name: 2-amino-2-[2-(3-chlorobenzyl)oxy-1-hydroxy-1-(phenylthio)ethyl]-5-methyl-hex-4-enoic acid Formula: C22H26ClNO4S MolecularWeight: 435.96414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C(=O)O)(C(COCC1=CC(=CC=C1)Cl)(O)SC2=CC=CC=C2)N)C

Isomeric SMILES

CC(=CCC(C(=O)O)(C(COCC1=CC(=CC=C1)Cl)(O)SC2=CC=CC=C2)N)C

InChI

InChI=1S/C22H26ClNO4S/c1-16(2)11-12-21(24,20(25)26)22(27,29-19-9-4-3-5-10-19)15-28-14-17-7-6-8-18(23)13-17/h3-11,13,27H,12,14-15,24H2,1-2H3,(H,25,26)