2-[3-[4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl]sulfanylpropylsulfanyl]butanoic acid

Systemtic Name: 2-[3-[4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl]sulfanylpropylsulfanyl]butanoic acid Openeye Name: 2-[3-[4-(2-methyl-2-morpholino-propanoyl)phenyl]sulfanylpropylsulfanyl]butanoic acid CAS Name: 2-[3-[[4-[2-methyl-2-(4-morpholinyl)-1-oxopropyl]phenyl]thio]propylthio]butanoic acid IUPAC Name: 2-[3-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylpropylsulfanyl]butanoic acid Traditional Name: 2-[3-[[4-(2-methyl-2-morpholino-propanoyl)phenyl]thio]propylthio]butyric acid Formula: C21H31NO4S2 MolecularWeight: 425.60514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SCCCSC1=CC=C(C=C1)C(=O)C(C)(C)N2CCOCC2

Isomeric SMILES

CCC(C(=O)O)SCCCSC1=CC=C(C=C1)C(=O)C(C)(C)N2CCOCC2

InChI

InChI=1S/C21H31NO4S2/c1-4-18(20(24)25)28-15-5-14-27-17-8-6-16(7-9-17)19(23)21(2,3)22-10-12-26-13-11-22/h6-9,18H,4-5,10-15H2,1-3H3,(H,24,25)