[2-[(3-chlorophenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 3-cyanobenzoate

Systemtic Name: [2-[(3-chlorophenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 3-cyanobenzoate Openeye Name: [2-(N-acetyl-3-chloro-anilino)thiazol-4-yl]methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(N-acetyl-3-chloroanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(N-acetyl-3-chloro-anilino)thiazol-4-yl]methyl ester Formula: C20H14ClN3O3S MolecularWeight: 411.86146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC(=CC=C1)Cl)C2=NC(=CS2)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(=O)N(C1=CC(=CC=C1)Cl)C2=NC(=CS2)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H14ClN3O3S/c1-13(25)24(18-7-3-6-16(21)9-18)20-23-17(12-28-20)11-27-19(26)15-5-2-4-14(8-15)10-22/h2-9,12H,11H2,1H3