2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCCSC4=CC=CC=C43)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCCSC4=CC=CC=C43)OCO2

InChI

InChI=1S/C20H20N2O4S/c1-13(23)14-9-17-18(26-12-25-17)10-15(14)21-20(24)11-22-7-4-8-27-19-6-3-2-5-16(19)22/h2-3,5-6,9-10H,4,7-8,11-12H2,1H3,(H,21,24)