ethyl 4-(3-cyanophenyl)-2-[(phenylmethyl)amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-(3-cyanophenyl)-2-[(phenylmethyl)amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(benzylamino)-4-(3-cyanophenyl)thiazole-5-carboxylate CAS Name: 4-(3-cyanophenyl)-2-[(phenylmethyl)amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylamino)-4-(3-cyanophenyl)-1,3-thiazole-5-carboxylate Traditional Name: 2-(benzylamino)-4-(3-cyanophenyl)thiazole-5-carboxylic acid ethyl ester Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NCC2=CC=CC=C2)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NCC2=CC=CC=C2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H17N3O2S/c1-2-25-19(24)18-17(16-10-6-9-15(11-16)12-21)23-20(26-18)22-13-14-7-4-3-5-8-14/h3-11H,2,13H2,1H3,(H,22,23)