2-[[4-(furan-3-ylmethoxymethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(furan-3-ylmethoxymethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(3-furylmethoxymethyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(3-furanylmethoxymethyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(furan-3-ylmethoxymethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(3-furfuryloxymethyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=COC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=COC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C25H27NO5S/c1-17-5-3-4-6-20(17)22-13-18(14-31-16-19-9-11-30-15-19)7-8-21(22)24(27)26-23(25(28)29)10-12-32-2/h3-9,11,13,15,23H,10,12,14,16H2,1-2H3,(H,26,27)(H,28,29)