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

Systemtic Name: methyl 2-[[(3-cyanophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(3-cyanophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-cyanoanilino)-oxomethyl]-(3-methoxypropyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-cyanophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-cyanophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S/c1-25-8-4-7-22(11-16-21-15(12-27-16)17(23)26-2)18(24)20-14-6-3-5-13(9-14)10-19/h3,5-6,9,12H,4,7-8,11H2,1-2H3,(H,20,24)