3-(aminomethyl)-5,6-dihydrobenzo[b][1]benzothiepine-7,9-diol

Systemtic Name: 3-(aminomethyl)-5,6-dihydrobenzo[b][1]benzothiepine-7,9-diol Openeye Name: 3-(aminomethyl)-5,6-dihydrobenzo[b][1]benzothiepine-7,9-diol CAS Name: 3-(aminomethyl)-5,6-dihydrobenzo[b][1]benzothiepin-7,9-diol IUPAC Name: 3-(aminomethyl)-5,6-dihydrobenzo[b][1]benzothiepine-7,9-diol Traditional Name: 3-(aminomethyl)-5,6-dihydrobenzo[b][1]benzothiepin-7,9-diol Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2SC3=C1C=C(C=C3)CN)O)O

Isomeric SMILES

C1CC2=C(C=C(C=C2SC3=C1C=C(C=C3)CN)O)O

InChI

InChI=1S/C15H15NO2S/c16-8-9-1-4-14-10(5-9)2-3-12-13(18)6-11(17)7-15(12)19-14/h1,4-7,17-18H,2-3,8,16H2