[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)C2=CSC(=N2)NCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)C2=CSC(=N2)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c24-18(23-11-7-2-1-3-8-12-23)14-26-19(25)17-15-27-20(22-17)21-13-16-9-5-4-6-10-16/h4-6,9-10,15H,1-3,7-8,11-14H2,(H,21,22)