4-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfanylbenzoic acid

Systemtic Name: 4-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfanylbenzoic acid Openeye Name: 4-(1-methyl-2-morpholino-2-oxo-ethyl)sulfanylbenzoic acid CAS Name: 4-[[1-(4-morpholinyl)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 4-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylbenzoic acid Traditional Name: 4-[(2-keto-1-methyl-2-morpholino-ethyl)thio]benzoic acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)SC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCOCC1)SC2=CC=C(C=C2)C(=O)O

InChI

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