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

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NCC=C)OC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

InChI

InChI=1S/C17H19N3O3S/c1-3-9-18-15(21)12(2)23-16(22)14-11-24-17(20-14)19-10-13-7-5-4-6-8-13/h3-8,11-12H,1,9-10H2,2H3,(H,18,21)(H,19,20)/t12-/m1/s1