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

Systemtic Name: [(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [(1S)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [(1S)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CSC(=N2)NCC=C

InChI

InChI=1S/C18H20N4O4S/c1-4-9-19-18-22-15(10-27-18)17(25)26-11(2)16(24)21-14-7-5-13(6-8-14)20-12(3)23/h4-8,10-11H,1,9H2,2-3H3,(H,19,22)(H,20,23)(H,21,24)/t11-/m0/s1