diethyl 5-azanyl-3-[[2,4-bis(oxidanyl)phenyl]carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[[2,4-bis(oxidanyl)phenyl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(2,4-dihydroxybenzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(2,4-dihydroxyphenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(2,4-dihydroxybenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(2,4-dihydroxybenzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H19NO8S MolecularWeight: 409.41036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2=C(C=C(C=C2)O)O)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2=C(C=C(C=C2)O)O)C(=O)OCC)N

InChI

InChI=1S/C18H19NO8S/c1-3-25-17(23)13-11(14(28-15(13)19)18(24)26-4-2)8-27-16(22)10-6-5-9(20)7-12(10)21/h5-7,20-21H,3-4,8,19H2,1-2H3