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

Systemtic Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-methoxy-4-oxidanyl-phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-5-methoxyphenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)N)SC2=NC3=CC=CC=C3S2)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)N)SC2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C18H13N3O3S2/c1-24-13-7-10(6-11(9-19)17(20)23)8-15(16(13)22)26-18-21-12-4-2-3-5-14(12)25-18/h2-8,22H,1H3,(H2,20,23)/b11-6+