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

Systemtic Name: 2-(4-morpholin-4-yl-4-oxidanylidene-butyl)sulfanylbenzoic acid Openeye Name: 2-(4-morpholino-4-oxo-butyl)sulfanylbenzoic acid CAS Name: 2-[[4-(4-morpholinyl)-4-oxobutyl]thio]benzoic acid IUPAC Name: 2-(4-morpholin-4-yl-4-oxobutyl)sulfanylbenzoic acid Traditional Name: 2-[(4-keto-4-morpholino-butyl)thio]benzoic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCCSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1COCCN1C(=O)CCCSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H19NO4S/c17-14(16-7-9-20-10-8-16)6-3-11-21-13-5-2-1-4-12(13)15(18)19/h1-2,4-5H,3,6-11H2,(H,18,19)