(E)-3-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C18H14N2O5S2 MolecularWeight: 402.44416

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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)OCO4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14N2O5S2/c1-27(22,23)12-4-5-13-16(9-12)26-18(19-13)20-17(21)7-3-11-2-6-14-15(8-11)25-10-24-14/h2-9H,10H2,1H3,(H,19,20,21)/b7-3+