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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C18H23N3O3S MolecularWeight: 361.45852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O3S/c1-13(2)8-9-19-18-21-15(12-25-18)17(23)24-11-16(22)20-10-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,21)(H,20,22)