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

Systemtic Name: 3-azanyl-4-(2-morpholin-4-ylethylsulfanyl)benzoic acid Openeye Name: 3-amino-4-(2-morpholinoethylsulfanyl)benzoic acid CAS Name: 3-amino-4-[2-(4-morpholinyl)ethylthio]benzoic acid IUPAC Name: 3-amino-4-(2-morpholin-4-ylethylsulfanyl)benzoic acid Traditional Name: 3-amino-4-(2-morpholinoethylthio)benzoic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSC2=C(C=C(C=C2)C(=O)O)N

Isomeric SMILES

C1COCCN1CCSC2=C(C=C(C=C2)C(=O)O)N

InChI

InChI=1S/C13H18N2O3S/c14-11-9-10(13(16)17)1-2-12(11)19-8-5-15-3-6-18-7-4-15/h1-2,9H,3-8,14H2,(H,16,17)