4-[2-(1,3-benzothiazol-2-yl)-2-(methylamino)ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-(1,3-benzothiazol-2-yl)-2-(methylamino)ethyl]benzene-1,2-diol Openeye Name: 4-[2-(1,3-benzothiazol-2-yl)-2-(methylamino)ethyl]benzene-1,2-diol CAS Name: 4-[2-(1,3-benzothiazol-2-yl)-2-(methylamino)ethyl]benzene-1,2-diol IUPAC Name: 4-[2-(1,3-benzothiazol-2-yl)-2-(methylamino)ethyl]benzene-1,2-diol Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)-2-(methylamino)ethyl]pyrocatechol Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CC(=C(C=C1)O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC(CC1=CC(=C(C=C1)O)O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H16N2O2S/c1-17-12(8-10-6-7-13(19)14(20)9-10)16-18-11-4-2-3-5-15(11)21-16/h2-7,9,12,17,19-20H,8H2,1H3