4-[(E)-2-cyano-3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-2-cyano-3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-cyano-3-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-[[4-(4-ethylphenyl)-2-thiazolyl]amino]-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-cyano-3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-3-keto-prop-1-enyl]benzoate Formula: C22H16N3O3S- MolecularWeight: 402.44574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(=CC3=CC=C(C=C3)C(=O)[O-])C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)/C(=C/C3=CC=C(C=C3)C(=O)[O-])/C#N

InChI

InChI=1S/C22H17N3O3S/c1-2-14-3-7-16(8-4-14)19-13-29-22(24-19)25-20(26)18(12-23)11-15-5-9-17(10-6-15)21(27)28/h3-11,13H,2H2,1H3,(H,27,28)(H,24,25,26)/p-1/b18-11+