(E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NCC2=NC3=CC=CC=C3S2)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NCC2=NC3=CC=CC=C3S2)OCC#N

InChI

InChI=1S/C20H17N3O3S/c1-25-17-12-14(6-8-16(17)26-11-10-21)7-9-19(24)22-13-20-23-15-4-2-3-5-18(15)27-20/h2-9,12H,11,13H2,1H3,(H,22,24)/b9-7+