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

Systemtic Name: methyl 2-[[(3-cyanophenyl)carbamoyl-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(3-cyanophenyl)carbamoyl-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-cyanoanilino)-oxomethyl]-(3-ethoxypropyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4S/c1-3-27-9-5-8-23(12-17-22-16(13-28-17)18(24)26-2)19(25)21-15-7-4-6-14(10-15)11-20/h4,6-7,10,13H,3,5,8-9,12H2,1-2H3,(H,21,25)