(E)-3-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-morpholino-1,3-benzothiazol-6-yl)prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-morpholino-1,3-benzothiazol-6-yl)acrylamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O4S/c25-20(6-2-14-1-5-17-18(11-14)28-13-27-17)22-15-3-4-16-19(12-15)29-21(23-16)24-7-9-26-10-8-24/h1-6,11-12H,7-10,13H2,(H,22,25)/b6-2+