3-(2-azanyl-5-phenoxy-phenyl)sulfanyl-3-(1,3-benzodioxol-5-yl)-2-oxidanyl-propanoic acid

Systemtic Name: 3-(2-azanyl-5-phenoxy-phenyl)sulfanyl-3-(1,3-benzodioxol-5-yl)-2-oxidanyl-propanoic acid Openeye Name: 3-(2-amino-5-phenoxy-phenyl)sulfanyl-3-(1,3-benzodioxol-5-yl)-2-hydroxy-propanoic acid CAS Name: 3-[(2-amino-5-phenoxyphenyl)thio]-3-(1,3-benzodioxol-5-yl)-2-hydroxypropanoic acid IUPAC Name: 3-(2-amino-5-phenoxyphenyl)sulfanyl-3-(1,3-benzodioxol-5-yl)-2-hydroxypropanoic acid Traditional Name: 3-[(2-amino-5-phenoxy-phenyl)thio]-3-(1,3-benzodioxol-5-yl)-2-hydroxy-propionic acid Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(C(=O)O)O)SC3=C(C=CC(=C3)OC4=CC=CC=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C(C(=O)O)O)SC3=C(C=CC(=C3)OC4=CC=CC=C4)N

InChI

InChI=1S/C22H19NO6S/c23-16-8-7-15(29-14-4-2-1-3-5-14)11-19(16)30-21(20(24)22(25)26)13-6-9-17-18(10-13)28-12-27-17/h1-11,20-21,24H,12,23H2,(H,25,26)