5-[[(E)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]-2-oxidanyl-benzoate

Systemtic Name: 5-[[(E)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]-2-oxidanyl-benzoate Openeye Name: 5-[[(E)-2-cyano-2-[4-(4-ethoxyphenyl)thiazol-2-yl]vinyl]amino]-2-hydroxy-benzoate CAS Name: 5-[[(E)-2-cyano-2-[4-(4-ethoxyphenyl)-2-thiazolyl]ethenyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[[(E)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]-2-hydroxybenzoate Traditional Name: 5-[[(E)-2-cyano-2-(4-p-phenetylthiazol-2-yl)vinyl]amino]-2-hydroxy-benzoate Formula: C21H16N3O4S- MolecularWeight: 406.43444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=CC(=C(C=C3)O)C(=O)[O-])C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC(=C(C=C3)O)C(=O)[O-])/C#N

InChI

InChI=1S/C21H17N3O4S/c1-2-28-16-6-3-13(4-7-16)18-12-29-20(24-18)14(10-22)11-23-15-5-8-19(25)17(9-15)21(26)27/h3-9,11-12,23,25H,2H2,1H3,(H,26,27)/p-1/b14-11+