3-(1,3-benzodioxol-5-yl)-N-benzo[e][1,3]benzothiazol-2-yl-2-cyano-prop-2-enamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-benzo[e][1,3]benzothiazol-2-yl-2-cyano-prop-2-enamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-benzo[e][1,3]benzothiazol-2-yl-2-cyano-prop-2-enamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(2-benzo[e][1,3]benzothiazolyl)-2-cyano-2-propenamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-benzo[e][1,3]benzothiazol-2-yl-2-cyanoprop-2-enamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-benzo[e][1,3]benzothiazol-2-yl-2-cyano-acrylamide Formula: C22H13N3O3S MolecularWeight: 399.42192

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C22H13N3O3S/c23-11-15(9-13-5-7-17-18(10-13)28-12-27-17)21(26)25-22-24-20-16-4-2-1-3-14(16)6-8-19(20)29-22/h1-10H,12H2,(H,24,25,26)