(E)-2-cyano-3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-(3-methoxypropylamino)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-(3-methoxypropylamino)prop-2-enamide Openeye Name: (E)-3-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-2-cyano-3-(3-methoxypropylamino)prop-2-enamide CAS Name: (E)-3-[(5-acetyl-2-methoxyphenyl)methylthio]-2-cyano-3-(3-methoxypropylamino)-2-propenamide IUPAC Name: (E)-3-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-2-cyano-3-(3-methoxypropylamino)prop-2-enamide Traditional Name: (E)-3-[(5-acetyl-2-methoxy-benzyl)thio]-2-cyano-3-(3-methoxypropylamino)acrylamide Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC(=C(C#N)C(=O)N)NCCCOC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CS/C(=C(\C#N)/C(=O)N)/NCCCOC

InChI

InChI=1S/C18H23N3O4S/c1-12(22)13-5-6-16(25-3)14(9-13)11-26-18(15(10-19)17(20)23)21-7-4-8-24-2/h5-6,9,21H,4,7-8,11H2,1-3H3,(H2,20,23)/b18-15+