2-[[5-(dimethylsulfamoyl)-4-methoxy-naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[5-(dimethylsulfamoyl)-4-methoxy-naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[5-(dimethylsulfamoyl)-4-methoxy-naphthalene-1-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[5-(dimethylsulfamoyl)-4-methoxy-1-naphthalenyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[5-(dimethylsulfamoyl)-4-methoxynaphthalene-1-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[5-(dimethylsulfamoyl)-4-methoxy-naphthalene-1-carbothioyl]-methyl-amino]acetic acid Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC2=C(C=CC(=C21)OC)C(=S)N(C)CC(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC2=C(C=CC(=C21)OC)C(=S)N(C)CC(=O)O

InChI

InChI=1S/C17H20N2O5S2/c1-18(2)26(22,23)14-7-5-6-11-12(8-9-13(24-4)16(11)14)17(25)19(3)10-15(20)21/h5-9H,10H2,1-4H3,(H,20,21)