(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H18N2O5S2/c1-29(24,25)14-5-6-15-18(12-14)28-20(21-15)22-19(23)8-4-13-3-7-16-17(11-13)27-10-2-9-26-16/h3-8,11-12H,2,9-10H2,1H3,(H,21,22,23)/b8-4+