N-(6-chloranyl-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C17H13ClN2O3S MolecularWeight: 360.81472

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl)OC1

InChI

InChI=1S/C17H13ClN2O3S/c18-11-3-4-12-15(9-11)24-17(19-12)20-16(21)10-2-5-13-14(8-10)23-7-1-6-22-13/h2-5,8-9H,1,6-7H2,(H,19,20,21)