(E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methoxy-4-oxidanyl-phenyl]-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methoxy-4-oxidanyl-phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide Formula: C19H15N3O3S2 MolecularWeight: 397.4707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CSC2=NC3=CC=CC=C3S2)C=C(C#N)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1O)CSC2=NC3=CC=CC=C3S2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C19H15N3O3S2/c1-25-15-8-11(6-12(9-20)18(21)24)7-13(17(15)23)10-26-19-22-14-4-2-3-5-16(14)27-19/h2-8,23H,10H2,1H3,(H2,21,24)/b12-6+