ethyl (2S)-2-[[5-(2,2-dicyanoethenyl)-2-oxidanyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl (2S)-2-[[5-(2,2-dicyanoethenyl)-2-oxidanyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: ethyl (2S)-2-[[5-(2,2-dicyanovinyl)-2-hydroxy-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[5-(2,2-dicyanoethenyl)-2-hydroxyphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[5-(2,2-dicyanoethenyl)-2-hydroxybenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[5-(2,2-dicyanovinyl)-2-hydroxy-benzoyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C1=C(C=CC(=C1)C=C(C#N)C#N)O

Isomeric SMILES

CCOC(=O)[C@H](CCSC)NC(=O)C1=C(C=CC(=C1)C=C(C#N)C#N)O

InChI

InChI=1S/C18H19N3O4S/c1-3-25-18(24)15(6-7-26-2)21-17(23)14-9-12(4-5-16(14)22)8-13(10-19)11-20/h4-5,8-9,15,22H,3,6-7H2,1-2H3,(H,21,23)/t15-/m0/s1