N-(1,3-benzothiazol-2-ylmethyl)-2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CC(=O)NCC3=NC4=CC=CC=C4S3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CC(=O)NCC3=NC4=CC=CC=C4S3)Cl)OC1

InChI

InChI=1S/C19H17ClN2O3S/c20-13-8-12(9-15-19(13)25-7-3-6-24-15)10-17(23)21-11-18-22-14-4-1-2-5-16(14)26-18/h1-2,4-5,8-9H,3,6-7,10-11H2,(H,21,23)