4-[2-(2-methylmorpholin-4-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(2-methylmorpholin-4-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(2-methylmorpholin-4-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(2-methyl-4-morpholinyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-(2-methylmorpholino)ethyl]thio]benzoic acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1CN(CCO1)C(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H17NO4S/c1-10-8-15(6-7-19-10)13(16)9-20-12-4-2-11(3-5-12)14(17)18/h2-5,10H,6-9H2,1H3,(H,17,18)