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

Systemtic Name: 2-[[5-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-3-methoxy-2-oxidanyl-phenyl]methylsulfanyl]benzoate Openeye Name: 2-[[5-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-hydroxy-3-methoxy-phenyl]methylsulfanyl]benzoate CAS Name: 2-[[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-hydroxy-3-methoxyphenyl]methylthio]benzoate IUPAC Name: 2-[[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-hydroxy-3-methoxyphenyl]methylsulfanyl]benzoate Traditional Name: 2-[[5-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-hydroxy-3-methoxy-benzyl]thio]benzoate Formula: C19H15N2O5S- MolecularWeight: 383.3978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CSC2=CC=CC=C2C(=O)[O-])C=C(C#N)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1O)CSC2=CC=CC=C2C(=O)[O-])/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C19H16N2O5S/c1-26-15-8-11(6-12(9-20)18(21)23)7-13(17(15)22)10-27-16-5-3-2-4-14(16)19(24)25/h2-8,22H,10H2,1H3,(H2,21,23)(H,24,25)/p-1/b12-6+