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

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CSC(=N2)NCC=C

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CSC(=N2)NCC=C

InChI

InChI=1S/C18H21N3O3S/c1-3-10-20-18-21-15(12-25-18)17(23)24-13(2)16(22)19-11-9-14-7-5-4-6-8-14/h3-8,12-13H,1,9-11H2,2H3,(H,19,22)(H,20,21)