(E)-N-(1,3-benzothiazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylamide Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O3S/c22-18(21-19-20-14-4-1-2-5-17(14)25-19)9-7-13-6-8-15-16(12-13)24-11-3-10-23-15/h1-2,4-9,12H,3,10-11H2,(H,20,21,22)/b9-7+