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

Systemtic Name: 2-[[2-(ethanethioylamino)-2-[3-[(prop-2-enoxycarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanylmethyl]-5-methoxy-6-methyl-3-oxidanyl-benzoic acid Openeye Name: 2-[[2-[3-[(allyloxycarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-(ethanethioylamino)ethyl]sulfanylmethyl]-3-hydroxy-5-methoxy-6-methyl-benzoic acid CAS Name: 5-hydroxy-3-methoxy-2-methyl-6-[[[2-[3-[[[oxo(prop-2-enoxy)methyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-2-(1-sulfanylideneethylamino)ethyl]thio]methyl]benzoic acid IUPAC Name: 2-[[2-(ethanethioylamino)-2-[3-[(prop-2-enoxycarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanylmethyl]-3-hydroxy-5-methoxy-6-methylbenzoic acid Traditional Name: 2-[[[2-[3-[(allyloxycarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-(thioacetylamino)ethyl]thio]methyl]-3-hydroxy-5-methoxy-6-methyl-benzoic acid Formula: C21H26N4O7S2 MolecularWeight: 510.58374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1OC)O)CSCC(C2=NC(=NO2)CNC(=O)OCC=C)NC(=S)C)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1OC)O)CSCC(C2=NC(=NO2)CNC(=O)OCC=C)NC(=S)C)C(=O)O

InChI

InChI=1S/C21H26N4O7S2/c1-5-6-31-21(29)22-8-17-24-19(32-25-17)14(23-12(3)33)10-34-9-13-15(26)7-16(30-4)11(2)18(13)20(27)28/h5,7,14,26H,1,6,8-10H2,2-4H3,(H,22,29)(H,23,33)(H,27,28)