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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N)C

InChI

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