2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]benzoic acid

Systemtic Name: 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[(4-isobutylmorpholin-2-yl)methylsulfanyl]benzoic acid CAS Name: 2-[[4-(2-methylpropyl)-2-morpholinyl]methylthio]benzoic acid IUPAC Name: 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[(4-isobutylmorpholin-2-yl)methylthio]benzoic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCOC(C1)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)CN1CCOC(C1)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H23NO3S/c1-12(2)9-17-7-8-20-13(10-17)11-21-15-6-4-3-5-14(15)16(18)19/h3-6,12-13H,7-11H2,1-2H3,(H,18,19)