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

Systemtic Name: 2-[[2-(ethanethioylamino)-2-[3-[(ethoxycarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanylmethyl]-5-methoxy-6-methyl-3-oxidanyl-benzoic acid Openeye Name: 2-[[2-(ethanethioylamino)-2-[3-[(ethoxycarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanylmethyl]-3-hydroxy-5-methoxy-6-methyl-benzoic acid CAS Name: 2-[[[2-[3-[(ethoxycarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-(1-sulfanylideneethylamino)ethyl]thio]methyl]-3-hydroxy-5-methoxy-6-methylbenzoic acid IUPAC Name: 2-[[2-(ethanethioylamino)-2-[3-[(ethoxycarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanylmethyl]-3-hydroxy-5-methoxy-6-methylbenzoic acid Traditional Name: 2-[[[2-[3-[(carbethoxyamino)methyl]-1,2,4-oxadiazol-5-yl]-2-(thioacetylamino)ethyl]thio]methyl]-3-hydroxy-5-methoxy-6-methyl-benzoic acid Formula: C20H26N4O7S2 MolecularWeight: 498.57304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCC1=NOC(=N1)C(CSCC2=C(C=C(C(=C2C(=O)O)C)OC)O)NC(=S)C

Isomeric SMILES

CCOC(=O)NCC1=NOC(=N1)C(CSCC2=C(C=C(C(=C2C(=O)O)C)OC)O)NC(=S)C

InChI

InChI=1S/C20H26N4O7S2/c1-5-30-20(28)21-7-16-23-18(31-24-16)13(22-11(3)32)9-33-8-12-14(25)6-15(29-4)10(2)17(12)19(26)27/h6,13,25H,5,7-9H2,1-4H3,(H,21,28)(H,22,32)(H,26,27)