2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H20N2O4S2/c1-2-24-13-4-6-15-18(10-13)28-20(21-15)22-19(23)12-27-14-5-7-16-17(11-14)26-9-3-8-25-16/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,21,22,23)