4-(2-morpholin-4-ylethylsulfanyl)benzoic acid

Systemtic Name: 4-(2-morpholin-4-ylethylsulfanyl)benzoic acid Openeye Name: 4-(2-morpholinoethylsulfanyl)benzoic acid CAS Name: 4-[2-(4-morpholinyl)ethylthio]benzoic acid IUPAC Name: 4-(2-morpholin-4-ylethylsulfanyl)benzoic acid Traditional Name: 4-(2-morpholinoethylthio)benzoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1COCCN1CCSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H17NO3S/c15-13(16)11-1-3-12(4-2-11)18-10-7-14-5-8-17-9-6-14/h1-4H,5-10H2,(H,15,16)