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

Systemtic Name: [2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(N-methylanilino)-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-(N-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-methylanilino)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-keto-2-(N-methylanilino)ethyl] ester Formula: C16H17N3O3S MolecularWeight: 331.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CSC(=N2)NCC=C

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CSC(=N2)NCC=C

InChI

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