sodium; 1,3-benzothiazole; 4-[(3-ethenylphenyl)amino]butanoic acid

Systemtic Name: sodium; 1,3-benzothiazole; 4-[(3-ethenylphenyl)amino]butanoic acid Openeye Name: sodium; 1,3-benzothiazole; 4-(3-vinylanilino)butanoic acid CAS Name: sodium; 1,3-benzothiazole; 4-(3-ethenylanilino)butanoic acid IUPAC Name: sodium; 1,3-benzothiazole; 4-(3-ethenylanilino)butanoic acid Traditional Name: sodium; 1,3-benzothiazole; 4-(3-vinylanilino)butyric acid Formula: C19H19N2NaO2S MolecularWeight: 362.42113

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]=CC1=CC(=CC=C1)NCCCC(=O)O.C1=CC=C2C(=C1)N=CS2.[Na+]

Isomeric SMILES

[CH-]=CC1=CC(=CC=C1)NCCCC(=O)O.C1=CC=C2C(=C1)N=CS2.[Na+]

InChI

InChI=1S/C12H14NO2.C7H5NS.Na/c1-2-10-5-3-6-11(9-10)13-8-4-7-12(14)15;1-2-4-7-6(3-1)8-5-9-7;/h1-3,5-6,9,13H,4,7-8H2,(H,14,15);1-5H;/q-1;;+1