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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CSC(=N1)NCC=C

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=CSC(=N1)NCC=C

InChI

InChI=1S/C14H21N3O3S/c1-4-6-10(3)16-12(18)8-20-13(19)11-9-21-14(17-11)15-7-5-2/h5,9-10H,2,4,6-8H2,1,3H3,(H,15,17)(H,16,18)