11-(2-dimethylaminoethyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile; ethanedioate; hydrate

Systemtic Name: 11-(2-dimethylaminoethyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile; ethanedioate; hydrate Openeye Name: 11-(2-dimethylaminoethyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile; oxalate; hydrate CAS Name: 11-(2-dimethylaminoethyl)-6H-benzo[c][1]benzothiepin-11-carbonitrile; oxalate; hydrate IUPAC Name: 11-(2-dimethylaminoethyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile; oxalate; hydrate Traditional Name: 11-(2-dimethylaminoethyl)-6H-benzo[c][1]benzothiepin-11-carbonitrile; oxalate; hydrate Formula: C21H22N2O5S-2 MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1(C2=CC=CC=C2CSC3=CC=CC=C31)C#N.C(=O)(C(=O)[O-])[O-].O

Isomeric SMILES

CN(C)CCC1(C2=CC=CC=C2CSC3=CC=CC=C31)C#N.C(=O)(C(=O)[O-])[O-].O

InChI

InChI=1S/C19H20N2S.C2H2O4.H2O/c1-21(2)12-11-19(14-20)16-8-4-3-7-15(16)13-22-18-10-6-5-9-17(18)19;3-1(4)2(5)6;/h3-10H,11-13H2,1-2H3;(H,3,4)(H,5,6);1H2/p-2