(Z)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]-N-(2-methoxyphenyl)prop-2-enamide

Systemtic Name: (Z)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]-N-(2-methoxyphenyl)prop-2-enamide Openeye Name: (Z)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]-N-(2-methoxyphenyl)prop-2-enamide CAS Name: (Z)-2-cyano-3-[4-(2-hydroxyethylthio)-3-nitrophenyl]-N-(2-methoxyphenyl)-2-propenamide IUPAC Name: (Z)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide Traditional Name: (Z)-2-cyano-3-[4-(2-hydroxyethylthio)-3-nitro-phenyl]-N-(2-methoxyphenyl)acrylamide Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)SCCO)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=CC=C1NC(=O)/C(=C\C2=CC(=C(C=C2)SCCO)[N+](=O)[O-])/C#N

InChI

InChI=1S/C19H17N3O5S/c1-27-17-5-3-2-4-15(17)21-19(24)14(12-20)10-13-6-7-18(28-9-8-23)16(11-13)22(25)26/h2-7,10-11,23H,8-9H2,1H3,(H,21,24)/b14-10-