diethyl 5-azanyl-3-[(4-methylsulfonylphenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(4-methylsulfonylphenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(4-methylsulfonylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-methylsulfonylphenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(4-methylsulfonylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4-mesylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H21NO8S2 MolecularWeight: 455.50194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO8S2/c1-4-26-18(22)14-13(15(29-16(14)20)19(23)27-5-2)10-28-17(21)11-6-8-12(9-7-11)30(3,24)25/h6-9H,4-5,10,20H2,1-3H3