4-[[2-(1,3-benzothiazol-2-yl)ethylamino]methyl]benzene-1,2-diol

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNCC3=CC(=C(C=C3)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNCC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C16H16N2O2S/c19-13-6-5-11(9-14(13)20)10-17-8-7-16-18-12-3-1-2-4-15(12)21-16/h1-6,9,17,19-20H,7-8,10H2