4-[2-(2-dimethylaminoethyloxy)-6-ethyl-benzo[b][1]benzothiepin-5-yl]phenol

Systemtic Name: 4-[2-(2-dimethylaminoethyloxy)-6-ethyl-benzo[b][1]benzothiepin-5-yl]phenol Openeye Name: 4-[2-(2-dimethylaminoethyloxy)-6-ethyl-benzo[b][1]benzothiepin-5-yl]phenol CAS Name: 4-[2-(2-dimethylaminoethyloxy)-6-ethyl-5-benzo[b][1]benzothiepinyl]phenol IUPAC Name: 4-[2-(2-dimethylaminoethyloxy)-6-ethylbenzo[b][1]benzothiepin-5-yl]phenol Traditional Name: 4-[2-(2-dimethylaminoethyloxy)-6-ethyl-benzo[b][1]benzothiepin-5-yl]phenol Formula: C26H27NO2S MolecularWeight: 417.56308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C(C=C2)OCCN(C)C)SC3=CC=CC=C31)C4=CC=C(C=C4)O

Isomeric SMILES

CCC1=C(C2=C(C=C(C=C2)OCCN(C)C)SC3=CC=CC=C31)C4=CC=C(C=C4)O

InChI

InChI=1S/C26H27NO2S/c1-4-21-22-7-5-6-8-24(22)30-25-17-20(29-16-15-27(2)3)13-14-23(25)26(21)18-9-11-19(28)12-10-18/h5-14,17,28H,4,15-16H2,1-3H3