dimethyl 5-azanyl-3-[3-(2,5-dimethylphenoxy)propanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[3-(2,5-dimethylphenoxy)propanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[3-(2,5-dimethylphenoxy)propanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[3-(2,5-dimethylphenoxy)-1-oxopropoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[3-(2,5-dimethylphenoxy)propanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[3-(2,5-dimethylphenoxy)propanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C20H23NO7S/c1-11-5-6-12(2)14(9-11)27-8-7-15(22)28-10-13-16(19(23)25-3)18(21)29-17(13)20(24)26-4/h5-6,9H,7-8,10,21H2,1-4H3