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

Systemtic Name: diethyl 5-azanyl-3-[(4-cyanophenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(4-cyanobenzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-cyanophenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(4-cyanobenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4-cyanobenzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6S/c1-3-25-18(23)14-13(15(28-16(14)21)19(24)26-4-2)10-27-17(22)12-7-5-11(9-20)6-8-12/h5-8H,3-4,10,21H2,1-2H3