[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[4-(4-ethylphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H17N3O3S/c1-2-14-3-7-16(8-4-14)18-13-28-21(23-18)24-19(25)12-27-20(26)17-9-5-15(11-22)6-10-17/h3-10,13H,2,12H2,1H3,(H,23,24,25)