diethyl 5-azanyl-3-[[(E)-3-phenylprop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[[(E)-3-phenylprop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[(E)-3-phenylprop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(E)-1-oxo-3-phenylprop-2-enoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[(E)-3-phenylprop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(E)-3-phenylacryloyl]oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S/c1-3-25-19(23)16-14(17(28-18(16)21)20(24)26-4-2)12-27-15(22)11-10-13-8-6-5-7-9-13/h5-11H,3-4,12,21H2,1-2H3/b11-10+