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

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(2-pyridyl)thiazol-2-yl]prop-2-enamide CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(2-pyridinyl)-2-thiazolyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(2-pyridyl)thiazol-2-yl]acrylamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)NC3=NC(=CS3)C4=CC=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)NC3=NC(=CS3)C4=CC=CC=N4)OC1

InChI

InChI=1S/C20H17N3O3S/c24-19(23-20-22-16(13-27-20)15-4-1-2-9-21-15)8-6-14-5-7-17-18(12-14)26-11-3-10-25-17/h1-2,4-9,12-13H,3,10-11H2,(H,22,23,24)/b8-6+