3-[[5-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-3-methoxy-2-oxidanyl-phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[5-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-3-methoxy-2-oxidanyl-phenyl]methylsulfanyl]propanoic acid Openeye Name: 3-[[5-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-hydroxy-3-methoxy-phenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-hydroxy-3-methoxyphenyl]methylthio]propanoic acid IUPAC Name: 3-[[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-hydroxy-3-methoxyphenyl]methylsulfanyl]propanoic acid Traditional Name: 3-[[5-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-hydroxy-3-methoxy-benzyl]thio]propionic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CSCCC(=O)O)C=C(C#N)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1O)CSCCC(=O)O)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C15H16N2O5S/c1-22-12-6-9(4-10(7-16)15(17)21)5-11(14(12)20)8-23-3-2-13(18)19/h4-6,20H,2-3,8H2,1H3,(H2,17,21)(H,18,19)/b10-4+