[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C14H21N3O3S MolecularWeight: 311.39984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CSC(=N1)NCC=C

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CSC(=N1)NCC=C

InChI

InChI=1S/C14H21N3O3S/c1-4-6-16-14-17-11(9-21-14)13(19)20-8-12(18)15-7-5-10(2)3/h4,9-10H,1,5-8H2,2-3H3,(H,15,18)(H,16,17)