2-[2-(ethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(ethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(ethylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(ethylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(ethylamino)-2-keto-ethyl]thio]benzoic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CSC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCNC(=O)CSC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C11H13NO3S/c1-2-12-10(13)7-16-9-6-4-3-5-8(9)11(14)15/h3-6H,2,7H2,1H3,(H,12,13)(H,14,15)