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

Systemtic Name: [1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-(cyclopropylcarbamoylamino)-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-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylcarbamoylamino)-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-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)OC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C(=O)NC(=O)NC1CC1)OC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H17N3O5S/c1-9(13(19)16-14(20)15-10-5-6-10)22-12(18)8-23-11-4-2-3-7-17(11)21/h2-4,7,9-10H,5-6,8H2,1H3,(H2,15,16,19,20)