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

Systemtic Name: dimethyl 5-azanyl-3-[(4-cyanophenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-cyanobenzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-cyanophenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-cyanobenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4-cyanobenzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H14N2O6S MolecularWeight: 374.36786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=CC=C(C=C2)C#N)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=CC=C(C=C2)C#N)C(=O)OC)N

InChI

InChI=1S/C17H14N2O6S/c1-23-16(21)12-11(13(17(22)24-2)26-14(12)19)8-25-15(20)10-5-3-9(7-18)4-6-10/h3-6H,8,19H2,1-2H3