4-[(11Z)-3-(2-dimethylaminoethyloxy)-11-ethyl-6H-benzo[c][1]benzothiocin-12-yl]phenol

Systemtic Name: 4-[(11Z)-3-(2-dimethylaminoethyloxy)-11-ethyl-6H-benzo[c][1]benzothiocin-12-yl]phenol Openeye Name: 4-[(11Z)-3-(2-dimethylaminoethyloxy)-11-ethyl-6H-benzo[c][1]benzothiocin-12-yl]phenol CAS Name: 4-[(11Z)-3-(2-dimethylaminoethyloxy)-11-ethyl-6H-benzo[c][1]benzothiocin-12-yl]phenol IUPAC Name: 4-[(11Z)-3-(2-dimethylaminoethyloxy)-11-ethyl-6H-benzo[c][1]benzothiocin-12-yl]phenol Traditional Name: 4-[(11Z)-3-(2-dimethylaminoethyloxy)-11-ethyl-6H-benzo[c][1]benzothiocin-12-yl]phenol Formula: C27H29NO2S MolecularWeight: 431.58966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C(C=C2)OCCN(C)C)SCC3=CC=CC=C31)C4=CC=C(C=C4)O

Isomeric SMILES

CC/C/1=C(/C2=C(C=C(C=C2)OCCN(C)C)SCC3=CC=CC=C31)\C4=CC=C(C=C4)O

InChI

InChI=1S/C27H29NO2S/c1-4-23-24-8-6-5-7-20(24)18-31-26-17-22(30-16-15-28(2)3)13-14-25(26)27(23)19-9-11-21(29)12-10-19/h5-14,17,29H,4,15-16,18H2,1-3H3/b27-23-