(E)-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenyl-prop-2-enamide Openeye Name: (E)-N-(3-allyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3-phenyl-prop-2-enamide CAS Name: (E)-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenyl-2-propenamide IUPAC Name: (E)-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide Traditional Name: (E)-N-(3-allyl-6-mesyl-1,3-benzothiazol-2-ylidene)-3-phenyl-acrylamide Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S2/c1-3-13-22-17-11-10-16(27(2,24)25)14-18(17)26-20(22)21-19(23)12-9-15-7-5-4-6-8-15/h3-12,14H,1,13H2,2H3/b12-9+,21-20?