methyl 4-[(E)-2-cyano-2-[4-phenyl-5-(propanoylamino)-1,3-thiazol-2-yl]ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-cyano-2-[4-phenyl-5-(propanoylamino)-1,3-thiazol-2-yl]ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-2-[4-phenyl-5-(propanoylamino)thiazol-2-yl]vinyl]benzoate CAS Name: 4-[(E)-2-cyano-2-[5-(1-oxopropylamino)-4-phenyl-2-thiazolyl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-2-[4-phenyl-5-(propanoylamino)-1,3-thiazol-2-yl]ethenyl]benzoate Traditional Name: 4-[(E)-2-cyano-2-(4-phenyl-5-propionamido-thiazol-2-yl)vinyl]benzoic acid methyl ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(N=C(S1)C(=CC2=CC=C(C=C2)C(=O)OC)C#N)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=C(N=C(S1)/C(=C/C2=CC=C(C=C2)C(=O)OC)/C#N)C3=CC=CC=C3

InChI

InChI=1S/C23H19N3O3S/c1-3-19(27)25-22-20(16-7-5-4-6-8-16)26-21(30-22)18(14-24)13-15-9-11-17(12-10-15)23(28)29-2/h4-13H,3H2,1-2H3,(H,25,27)/b18-13+