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

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-(ethylcarbamoylamino)-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-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5S/c1-3-14-13(19)15-12(18)9(2)21-11(17)8-22-10-6-4-5-7-16(10)20/h4-7,9H,3,8H2,1-2H3,(H2,14,15,18,19)