5-(ethylsulfanylmethyl)-3-methoxy-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-oxidanylethanoylamino)benzoic acid

Systemtic Name: 5-(ethylsulfanylmethyl)-3-methoxy-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-oxidanylethanoylamino)benzoic acid Openeye Name: 5-(ethylsulfanylmethyl)-4-[(2-hydroxyacetyl)amino]-3-methoxy-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid CAS Name: 5-[(ethylthio)methyl]-4-[(2-hydroxy-1-oxoethyl)amino]-3-methoxy-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid IUPAC Name: 5-(ethylsulfanylmethyl)-4-[(2-hydroxyacetyl)amino]-3-methoxy-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid Traditional Name: 5-[(ethylthio)methyl]-4-(glycoloylamino)-3-methoxy-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(C(=C(C(=C1C2=NC(=NO2)C)C(=O)O)C)OC)NC(=O)CO

Isomeric SMILES

CCSCC1=C(C(=C(C(=C1C2=NC(=NO2)C)C(=O)O)C)OC)NC(=O)CO

InChI

InChI=1S/C17H21N3O6S/c1-5-27-7-10-13(16-18-9(3)20-26-16)12(17(23)24)8(2)15(25-4)14(10)19-11(22)6-21/h21H,5-7H2,1-4H3,(H,19,22)(H,23,24)