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

Systemtic Name: 2-[ethyl-[4-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethanesulfonic acid Openeye Name: 2-[N-ethyl-4-[(6-methyl-1,3-benzothiazol-2-yl)azo]anilino]ethanesulfonic acid CAS Name: 2-[N-ethyl-4-[(6-methyl-1,3-benzothiazol-2-yl)azo]anilino]ethanesulfonic acid IUPAC Name: 2-[N-ethyl-4-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethanesulfonic acid Traditional Name: 2-[N-ethyl-4-[(6-methyl-1,3-benzothiazol-2-yl)azo]anilino]ethanesulfonic acid Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S2/c1-3-22(10-11-27(23,24)25)15-7-5-14(6-8-15)20-21-18-19-16-9-4-13(2)12-17(16)26-18/h4-9,12H,3,10-11H2,1-2H3,(H,23,24,25)