6-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzothiepine-5-carbonitrile; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 6-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzothiepine-5-carbonitrile; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 6-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzothiepine-5-carbonitrile; 2-hydroxy-2-oxo-acetate CAS Name: 6-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzothiepin-5-carbonitrile; 2-hydroxy-2-oxoacetate IUPAC Name: 6-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzothiepine-5-carbonitrile; 2-hydroxy-2-oxoacetate Traditional Name: 6-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzothiepin-5-carbonitrile binoxalate Formula: C22H23N2O4S- MolecularWeight: 411.49402

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1C(C2=CC=CC=C2SC3=CC=CC=C13)C#N.C(=O)(C(=O)[O-])O

Isomeric SMILES

CN(C)CCCC1C(C2=CC=CC=C2SC3=CC=CC=C13)C#N.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H22N2S.C2H2O4/c1-22(2)13-7-10-15-16-8-3-5-11-19(16)23-20-12-6-4-9-17(20)18(15)14-21;3-1(4)2(5)6/h3-6,8-9,11-12,15,18H,7,10,13H2,1-2H3;(H,3,4)(H,5,6)/p-1