2-[3-[4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl]sulfanylpropylsulfanylmethyl]prop-2-enoic acid

Systemtic Name: 2-[3-[4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl]sulfanylpropylsulfanylmethyl]prop-2-enoic acid Openeye Name: 2-[3-[4-(2-methyl-2-morpholino-propanoyl)phenyl]sulfanylpropylsulfanylmethyl]prop-2-enoic acid CAS Name: 2-[[3-[[4-[2-methyl-2-(4-morpholinyl)-1-oxopropyl]phenyl]thio]propylthio]methyl]-2-propenoic acid IUPAC Name: 2-[3-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylpropylsulfanylmethyl]prop-2-enoic acid Traditional Name: 2-[[3-[[4-(2-methyl-2-morpholino-propanoyl)phenyl]thio]propylthio]methyl]acrylic acid Formula: C21H29NO4S2 MolecularWeight: 423.58926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=C(C=C1)SCCCSCC(=C)C(=O)O)N2CCOCC2

Isomeric SMILES

CC(C)(C(=O)C1=CC=C(C=C1)SCCCSCC(=C)C(=O)O)N2CCOCC2

InChI

InChI=1S/C21H29NO4S2/c1-16(20(24)25)15-27-13-4-14-28-18-7-5-17(6-8-18)19(23)21(2,3)22-9-11-26-12-10-22/h5-8H,1,4,9-15H2,2-3H3,(H,24,25)