3-chloranyl-10-(2-dimethylaminoethyloxy)-5H-benzo[b][1]benzothiepin-6-one hydrochloride

Systemtic Name: 3-chloranyl-10-(2-dimethylaminoethyloxy)-5H-benzo[b][1]benzothiepin-6-one hydrochloride Openeye Name: 3-chloro-10-(2-dimethylaminoethyloxy)-5H-benzo[b][1]benzothiepin-6-one hydrochloride CAS Name: 3-chloro-10-(2-dimethylaminoethyloxy)-5H-benzo[b][1]benzothiepin-6-one hydrochloride IUPAC Name: 3-chloro-10-(2-dimethylaminoethyloxy)-5H-benzo[b][1]benzothiepin-6-one hydrochloride Traditional Name: 3-chloro-10-(2-dimethylaminoethyloxy)-5H-benzo[b][1]benzothiepin-6-one hydrochloride Formula: C18H19Cl2NO2S MolecularWeight: 384.31996

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=CC2=C1SC3=C(CC2=O)C=C(C=C3)Cl.Cl

Isomeric SMILES

CN(C)CCOC1=CC=CC2=C1SC3=C(CC2=O)C=C(C=C3)Cl.Cl

InChI

InChI=1S/C18H18ClNO2S.ClH/c1-20(2)8-9-22-16-5-3-4-14-15(21)11-12-10-13(19)6-7-17(12)23-18(14)16;/h3-7,10H,8-9,11H2,1-2H3;1H