[4-[(E)-2-cyano-3-oxidanylidene-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-ethoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-ethoxy-phenyl] benzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(thiazol-2-ylamino)prop-1-enyl]-2-ethoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-cyano-3-oxo-3-(2-thiazolylamino)prop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-ethoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-cyano-3-keto-3-(thiazol-2-ylamino)prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NC=CS2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=NC=CS2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H17N3O4S/c1-2-28-19-13-15(12-17(14-23)20(26)25-22-24-10-11-30-22)8-9-18(19)29-21(27)16-6-4-3-5-7-16/h3-13H,2H2,1H3,(H,24,25,26)/b17-12+