[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (3S,7aS)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (3S,7aS)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] (3S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxylate CAS Name: (3S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (3S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate Traditional Name: (3S,7aS)-5-keto-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxylic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C14H21N3O5S MolecularWeight: 343.39864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1CSC2(N1C(=O)CC2)C

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)[C@H]1CS[C@@]2(N1C(=O)CC2)C

InChI

InChI=1S/C14H21N3O5S/c1-7(2)10(11(19)16-13(15)21)22-12(20)8-6-23-14(3)5-4-9(18)17(8)14/h7-8,10H,4-6H2,1-3H3,(H3,15,16,19,21)/t8-,10-,14+/m1/s1