2-azanyl-3-[1,3-benzodioxol-5-yl(diphenyl)methyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[1,3-benzodioxol-5-yl(diphenyl)methyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[1,3-benzodioxol-5-yl(diphenyl)methyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[1,3-benzodioxol-5-yl(diphenyl)methyl]thio]propanoic acid IUPAC Name: 2-amino-3-[1,3-benzodioxol-5-yl(diphenyl)methyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[1,3-benzodioxol-5-yl(diphenyl)methyl]thio]propionic acid Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO4S/c24-19(22(25)26)14-29-23(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18-11-12-20-21(13-18)28-15-27-20/h1-13,19H,14-15,24H2,(H,25,26)