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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H17N3O3S/c1-14-4-2-3-5-18(14)24-19(25)10-20-23-17(13-28-20)12-27-21(26)16-8-6-15(11-22)7-9-16/h2-9,13H,10,12H2,1H3,(H,24,25)