ethyl 5-ethanoyl-4-methyl-2-(2,3,3-triphenylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-(2,3,3-triphenylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-(2,3,3-triphenylpropanoylamino)thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[(1-oxo-2,3,3-triphenylpropyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-(2,3,3-triphenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-(2,3,3-triphenylpropanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C31H29NO4S MolecularWeight: 511.63126

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H29NO4S/c1-4-36-31(35)25-20(2)28(21(3)33)37-30(25)32-29(34)27(24-18-12-7-13-19-24)26(22-14-8-5-9-15-22)23-16-10-6-11-17-23/h5-19,26-27H,4H2,1-3H3,(H,32,34)