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

Systemtic Name: diethyl 5-azanyl-3-[(3-chlorophenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(3-chlorobenzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(3-chlorophenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(3-chlorobenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(3-chlorobenzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H18ClNO6S MolecularWeight: 411.85662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO6S/c1-3-24-17(22)13-12(14(27-15(13)20)18(23)25-4-2)9-26-16(21)10-6-5-7-11(19)8-10/h5-8H,3-4,9,20H2,1-2H3