diethyl 5-azanyl-3-[2-(3,4-dimethylphenyl)ethanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[2-(3,4-dimethylphenyl)ethanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[2-(3,4-dimethylphenyl)acetyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[2-(3,4-dimethylphenyl)-1-oxoethoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[2-(3,4-dimethylphenyl)acetyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-(3,4-dimethylphenyl)acetyl]oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)CC2=CC(=C(C=C2)C)C)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)CC2=CC(=C(C=C2)C)C)C(=O)OCC)N

InChI

InChI=1S/C21H25NO6S/c1-5-26-20(24)17-15(18(29-19(17)22)21(25)27-6-2)11-28-16(23)10-14-8-7-12(3)13(4)9-14/h7-9H,5-6,10-11,22H2,1-4H3