2-azanyl-3-[1,3-benzodioxol-5-yl-(2,4-dichlorophenyl)methyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[1,3-benzodioxol-5-yl-(2,4-dichlorophenyl)methyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[1,3-benzodioxol-5-yl-(2,4-dichlorophenyl)methyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[1,3-benzodioxol-5-yl-(2,4-dichlorophenyl)methyl]thio]propanoic acid IUPAC Name: 2-amino-3-[1,3-benzodioxol-5-yl-(2,4-dichlorophenyl)methyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[1,3-benzodioxol-5-yl-(2,4-dichlorophenyl)methyl]thio]propionic acid Formula: C17H15Cl2NO4S MolecularWeight: 400.2763

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=C(C=C(C=C3)Cl)Cl)SCC(C(=O)O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C3=C(C=C(C=C3)Cl)Cl)SCC(C(=O)O)N

InChI

InChI=1S/C17H15Cl2NO4S/c18-10-2-3-11(12(19)6-10)16(25-7-13(20)17(21)22)9-1-4-14-15(5-9)24-8-23-14/h1-6,13,16H,7-8,20H2,(H,21,22)