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

Systemtic Name: 3-chloranyl-10-(2-dimethylaminoethyloxy)-5H-benzo[b][1]benzothiepin-6-one hydrate hydrochloride Openeye Name: 3-chloro-10-(2-dimethylaminoethyloxy)-5H-benzo[b][1]benzothiepin-6-one hydrate hydrochloride CAS Name: 3-chloro-10-(2-dimethylaminoethyloxy)-5H-benzo[b][1]benzothiepin-6-one hydrate hydrochloride IUPAC Name: 3-chloro-10-(2-dimethylaminoethyloxy)-5H-benzo[b][1]benzothiepin-6-one hydrate hydrochloride Traditional Name: 3-chloro-10-(2-dimethylaminoethyloxy)-5H-benzo[b][1]benzothiepin-6-one hydrate hydrochloride Formula: C18H21Cl2NO3S MolecularWeight: 402.33524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO2S.ClH.H2O/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;1H2