2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylbenzoic acid

Systemtic Name: 2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylbenzoic acid Openeye Name: 2-(2-morpholino-2-oxo-ethyl)sulfanylbenzoic acid CAS Name: 2-[[2-(4-morpholinyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzoic acid Traditional Name: 2-[(2-keto-2-morpholino-ethyl)thio]benzoic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1COCCN1C(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H15NO4S/c15-12(14-5-7-18-8-6-14)9-19-11-4-2-1-3-10(11)13(16)17/h1-4H,5-9H2,(H,16,17)