[1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)CSC1=CC=CC=[N+]1[O-]

Isomeric SMILES

CC(C)NC(=O)NC(=O)C(C)OC(=O)CSC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C14H19N3O5S/c1-9(2)15-14(20)16-13(19)10(3)22-12(18)8-23-11-6-4-5-7-17(11)21/h4-7,9-10H,8H2,1-3H3,(H2,15,16,19,20)