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

Systemtic Name: 4-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(diethylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(diethylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(diethylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(diethylamino)-2-keto-ethyl]thio]benzoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H17NO3S/c1-3-14(4-2)12(15)9-18-11-7-5-10(6-8-11)13(16)17/h5-8H,3-4,9H2,1-2H3,(H,16,17)