[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-ethylphenyl)-4-methyl-5-thiazolecarboxylic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxylic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)OCCC(=O)NC3=CC=CC=C3C#N)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)OCCC(=O)NC3=CC=CC=C3C#N)C

InChI

InChI=1S/C23H21N3O3S/c1-3-16-8-10-17(11-9-16)22-25-15(2)21(30-22)23(28)29-13-12-20(27)26-19-7-5-4-6-18(19)14-24/h4-11H,3,12-13H2,1-2H3,(H,26,27)