[(2S)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-[(S)-methylsulfinyl]benzoate

Systemtic Name: [(2S)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-[(S)-methylsulfinyl]benzoate Openeye Name: [(1S)-2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-[(S)-methylsulfinyl]benzoate CAS Name: 4-[(S)-methylsulfinyl]benzoic acid [(2S)-1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 4-[(S)-methylsulfinyl]benzoate Traditional Name: 4-[(S)-methylsulfinyl]benzoic acid [(1S)-2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H18N2O5S MolecularWeight: 338.37882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)OC(=O)C2=CC=C(C=C2)S(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CC1)OC(=O)C2=CC=C(C=C2)[S@@](=O)C

InChI

InChI=1S/C15H18N2O5S/c1-9(13(18)17-15(20)16-11-5-6-11)22-14(19)10-3-7-12(8-4-10)23(2)21/h3-4,7-9,11H,5-6H2,1-2H3,(H2,16,17,18,20)/t9-,23-/m0/s1