O-ethyl N-[3-[2,5-bis(oxidanyl)phenyl]propanoyl]carbamothioate

Systemtic Name: O-ethyl N-[3-[2,5-bis(oxidanyl)phenyl]propanoyl]carbamothioate Openeye Name: O-ethyl N-[3-(2,5-dihydroxyphenyl)propanoyl]carbamothioate CAS Name: N-[3-(2,5-dihydroxyphenyl)-1-oxopropyl]carbamothioic acid O-ethyl ester IUPAC Name: O-ethyl N-[3-(2,5-dihydroxyphenyl)propanoyl]carbamothioate Traditional Name: N-[3-(2,5-dihydroxyphenyl)propanoyl]thiocarbamic acid O-ethyl ester Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)NC(=O)CCC1=C(C=CC(=C1)O)O

Isomeric SMILES

CCOC(=S)NC(=O)CCC1=C(C=CC(=C1)O)O

InChI

InChI=1S/C12H15NO4S/c1-2-17-12(18)13-11(16)6-3-8-7-9(14)4-5-10(8)15/h4-5,7,14-15H,2-3,6H2,1H3,(H,13,16,18)