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

Systemtic Name: (E)-3-[3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-methoxy-4-oxidanyl-phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-hydroxy-5-methoxy-phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[3-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[3-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide Formula: C19H14ClN3O3S2 MolecularWeight: 431.91576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CSC2=NC3=C(S2)C=CC(=C3)Cl)C=C(C#N)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1O)CSC2=NC3=C(S2)C=CC(=C3)Cl)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C19H14ClN3O3S2/c1-26-15-6-10(4-11(8-21)18(22)25)5-12(17(15)24)9-27-19-23-14-7-13(20)2-3-16(14)28-19/h2-7,24H,9H2,1H3,(H2,22,25)/b11-4+