4-[5-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-3-methoxy-2-oxidanyl-phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[5-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-3-methoxy-2-oxidanyl-phenyl]sulfanylbutanoic acid Openeye Name: 4-[5-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-hydroxy-3-methoxy-phenyl]sulfanylbutanoic acid CAS Name: 4-[[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-hydroxy-3-methoxyphenyl]thio]butanoic acid IUPAC Name: 4-[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-hydroxy-3-methoxyphenyl]sulfanylbutanoic acid Traditional Name: 4-[[5-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-hydroxy-3-methoxy-phenyl]thio]butyric acid Formula: C15H16N2O5S MolecularWeight: 336.36294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)N)SCCCC(=O)O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)N)SCCCC(=O)O)O

InChI

InChI=1S/C15H16N2O5S/c1-22-11-6-9(5-10(8-16)15(17)21)7-12(14(11)20)23-4-2-3-13(18)19/h5-7,20H,2-4H2,1H3,(H2,17,21)(H,18,19)/b10-5+