3-cyanopropyl 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: 3-cyanopropyl 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: 3-cyanopropyl 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid 3-cyanopropyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=CS2)C(=O)OCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=CS2)C(=O)OCCCC#N

InChI

InChI=1S/C15H15N3O2S/c16-8-4-5-9-20-14(19)13-11-21-15(18-13)17-10-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,9-10H2,(H,17,18)