dimethyl 5-azanyl-3-[2-(4-propanoylphenoxy)ethanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[2-(4-propanoylphenoxy)ethanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[1-oxo-2-[4-(1-oxopropyl)phenoxy]ethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-(4-propionylphenoxy)acetyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H21NO8S MolecularWeight: 435.44764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C20H21NO8S/c1-4-14(22)11-5-7-12(8-6-11)28-10-15(23)29-9-13-16(19(24)26-2)18(21)30-17(13)20(25)27-3/h5-8H,4,9-10,21H2,1-3H3