2-[ethyl-[3-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethanesulfonic acid

Systemtic Name: 2-[ethyl-[3-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethanesulfonic acid Openeye Name: 2-[N-ethyl-3-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)azo]anilino]ethanesulfonic acid CAS Name: 2-[N-ethyl-3-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)azo]anilino]ethanesulfonic acid IUPAC Name: 2-[N-ethyl-3-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethanesulfonic acid Traditional Name: 2-[N-ethyl-3-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)azo]anilino]ethanesulfonic acid Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCS(=O)(=O)O)C1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)C)C

Isomeric SMILES

CCN(CCS(=O)(=O)O)C1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)C)C

InChI

InChI=1S/C19H22N4O3S2/c1-4-23(9-10-28(24,25)26)15-6-8-16(14(3)12-15)21-22-19-20-17-7-5-13(2)11-18(17)27-19/h5-8,11-12H,4,9-10H2,1-3H3,(H,24,25,26)