[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-[(4-methylphenoxy)methyl]thiazole-4-carboxylate CAS Name: 2-[(4-methylphenoxy)methyl]-4-thiazolecarboxylic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(4-methylphenoxy)methyl]thiazole-4-carboxylic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H19N3O4S/c1-14-6-8-18(9-7-14)28-12-20-25-19(13-30-20)22(27)29-15(2)21(26)24-17-5-3-4-16(10-17)11-23/h3-10,13,15H,12H2,1-2H3,(H,24,26)