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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

InChI

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