ethyl 2-[[(3-cyanophenyl)carbamoyl-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(3-cyanophenyl)carbamoyl-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3-cyanophenyl)carbamoyl-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-cyanoanilino)-oxomethyl]-(3-ethoxypropyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-cyanophenyl)carbamoyl-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-cyanophenyl)carbamoyl-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCOCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C20H24N4O4S/c1-3-27-10-6-9-24(13-18-23-17(14-29-18)19(25)28-4-2)20(26)22-16-8-5-7-15(11-16)12-21/h5,7-8,11,14H,3-4,6,9-10,13H2,1-2H3,(H,22,26)