[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)OC(C(C)C)C(=O)NC(=O)N)C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=C(S1)C(=O)O[C@@H](C(C)C)C(=O)NC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C17H19N3O4S/c1-9(2)13(15(21)20-17(18)23)24-16(22)14-12(19-10(3)25-14)11-7-5-4-6-8-11/h4-9,13H,1-3H3,(H3,18,20,21,23)/t13-/m0/s1