diethyl 3-methyl-5-(2,3,3-triphenylpropanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(2,3,3-triphenylpropanoylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(2,3,3-triphenylpropanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[(1-oxo-2,3,3-triphenylpropyl)amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(2,3,3-triphenylpropanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(2,3,3-triphenylpropanoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C32H31NO5S MolecularWeight: 541.65724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H31NO5S/c1-4-37-31(35)25-21(3)28(32(36)38-5-2)39-30(25)33-29(34)27(24-19-13-8-14-20-24)26(22-15-9-6-10-16-22)23-17-11-7-12-18-23/h6-20,26-27H,4-5H2,1-3H3,(H,33,34)