4-[2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(2-methoxyethylcarbamoylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[[(2-methoxyethylamino)-oxomethyl]amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-(2-methoxyethylcarbamoylamino)ethyl]thio]benzoic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)NC(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COCCNC(=O)NC(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H16N2O5S/c1-20-7-6-14-13(19)15-11(16)8-21-10-4-2-9(3-5-10)12(17)18/h2-5H,6-8H2,1H3,(H,17,18)(H2,14,15,16,19)