(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C16H17N3O3S MolecularWeight: 331.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CSC(=N2)NCC=C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CSC(=N2)NCC=C

InChI

InChI=1S/C16H17N3O3S/c1-3-9-17-16-19-13(10-23-16)15(21)22-11(2)14(20)18-12-7-5-4-6-8-12/h3-8,10-11H,1,9H2,2H3,(H,17,19)(H,18,20)