[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H25N3O3S MolecularWeight: 351.4637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C2=CSC(=N2)NCC=C

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)OC(=O)C2=CSC(=N2)NCC=C

InChI

InChI=1S/C17H25N3O3S/c1-3-9-18-17-20-14(11-24-17)16(22)23-12(2)15(21)19-10-13-7-5-4-6-8-13/h3,11-13H,1,4-10H2,2H3,(H,18,20)(H,19,21)