4-[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: 4-[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 4-[(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 4-[[(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C13H15N2O4S- MolecularWeight: 295.3342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)SC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C13H16N2O4S/c1-3-14-13(19)15-11(16)8(2)20-10-6-4-9(5-7-10)12(17)18/h4-8H,3H2,1-2H3,(H,17,18)(H2,14,15,16,19)/p-1/t8-/m0/s1