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

Systemtic Name: diethyl 5-azanyl-3-[(3-methyl-2-oxidanyl-phenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(2-hydroxy-3-methyl-benzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(2-hydroxy-3-methylphenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(2-hydroxy-3-methylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(2-hydroxy-3-methyl-benzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H21NO7S MolecularWeight: 407.43754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO7S/c1-4-25-18(23)13-12(15(28-16(13)20)19(24)26-5-2)9-27-17(22)11-8-6-7-10(3)14(11)21/h6-8,21H,4-5,9,20H2,1-3H3