2-[[2-acetamido-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-5-methoxy-6-methyl-3-oxidanyl-benzoic acid

Systemtic Name: 2-[[2-acetamido-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-5-methoxy-6-methyl-3-oxidanyl-benzoic acid Openeye Name: 2-[[2-acetamido-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-3-hydroxy-5-methoxy-6-methyl-benzoic acid CAS Name: 2-[[[2-acetamido-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thio]methyl]-3-hydroxy-5-methoxy-6-methylbenzoic acid IUPAC Name: 2-[[2-acetamido-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-3-hydroxy-5-methoxy-6-methylbenzoic acid Traditional Name: 2-[[[2-acetamido-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thio]methyl]-3-hydroxy-5-methoxy-6-methyl-benzoic acid Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1OC)O)CSCC(C2=NC(=NO2)C)NC(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1OC)O)CSCC(C2=NC(=NO2)C)NC(=O)C)C(=O)O

InChI

InChI=1S/C17H21N3O6S/c1-8-14(25-4)5-13(22)11(15(8)17(23)24)6-27-7-12(19-10(3)21)16-18-9(2)20-26-16/h5,12,22H,6-7H2,1-4H3,(H,19,21)(H,23,24)