(E)-2-cyano-3-[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxy-phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxy-phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(2-furylmethylsulfanylmethyl)-4-methoxy-phenyl]-N-thiazol-2-yl-prop-2-enamide CAS Name: (E)-2-cyano-3-[3-[(2-furanylmethylthio)methyl]-4-methoxyphenyl]-N-(2-thiazolyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-[(2-furfurylthio)methyl]-4-methoxy-phenyl]-N-thiazol-2-yl-acrylamide Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC=CS2)CSCC3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC=CS2)CSCC3=CC=CO3

InChI

InChI=1S/C20H17N3O3S2/c1-25-18-5-4-14(10-16(18)12-27-13-17-3-2-7-26-17)9-15(11-21)19(24)23-20-22-6-8-28-20/h2-10H,12-13H2,1H3,(H,22,23,24)/b15-9+