[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-ureido-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [(1R)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C13H16N2O4S MolecularWeight: 296.34214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)C1=CSC2=C1CCCC2

Isomeric SMILES

C[C@H](C(=O)NC(=O)N)OC(=O)C1=CSC2=C1CCCC2

InChI

InChI=1S/C13H16N2O4S/c1-7(11(16)15-13(14)18)19-12(17)9-6-20-10-5-3-2-4-8(9)10/h6-7H,2-5H2,1H3,(H3,14,15,16,18)/t7-/m1/s1