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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CC(=O)NC3=NC4=CC=CC=C4S3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CC(=O)NC3=NC4=CC=CC=C4S3)Cl)OC1

InChI

InChI=1S/C18H15ClN2O3S/c19-12-8-11(9-14-17(12)24-7-3-6-23-14)10-16(22)21-18-20-13-4-1-2-5-15(13)25-18/h1-2,4-5,8-9H,3,6-7,10H2,(H,20,21,22)