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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C17H21N3O3S MolecularWeight: 347.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O3S/c1-17(2,3)20-14(21)10-23-15(22)13-11-24-16(19-13)18-9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,18,19)(H,20,21)