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

Systemtic Name: 2-[3-[4-[2-(dimethylamino)-2-methyl-3-phenyl-propanoyl]phenyl]sulfanylpropylsulfanylmethyl]prop-2-enoic acid Openeye Name: 2-[3-[4-[2-(dimethylamino)-2-methyl-3-phenyl-propanoyl]phenyl]sulfanylpropylsulfanylmethyl]prop-2-enoic acid CAS Name: 2-[[3-[[4-[2-(dimethylamino)-2-methyl-1-oxo-3-phenylpropyl]phenyl]thio]propylthio]methyl]-2-propenoic acid IUPAC Name: 2-[3-[4-[2-(dimethylamino)-2-methyl-3-phenylpropanoyl]phenyl]sulfanylpropylsulfanylmethyl]prop-2-enoic acid Traditional Name: 2-[[3-[[4-[2-(dimethylamino)-2-methyl-3-phenyl-propanoyl]phenyl]thio]propylthio]methyl]acrylic acid Formula: C25H31NO3S2 MolecularWeight: 457.64854

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C(=O)C2=CC=C(C=C2)SCCCSCC(=C)C(=O)O)N(C)C

Isomeric SMILES

CC(CC1=CC=CC=C1)(C(=O)C2=CC=C(C=C2)SCCCSCC(=C)C(=O)O)N(C)C

InChI

InChI=1S/C25H31NO3S2/c1-19(24(28)29)18-30-15-8-16-31-22-13-11-21(12-14-22)23(27)25(2,26(3)4)17-20-9-6-5-7-10-20/h5-7,9-14H,1,8,15-18H2,2-4H3,(H,28,29)