ethyl 2,4-dimethyl-5-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[3-[2-(2-thienyl)ethynyl]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[3-(2-thiophen-2-ylethynyl)anilino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[3-[2-(2-thienyl)ethynyl]phenyl]carbamoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)C

InChI

InChI=1S/C22H20N2O3S/c1-4-27-22(26)19-14(2)20(23-15(19)3)21(25)24-17-8-5-7-16(13-17)10-11-18-9-6-12-28-18/h5-9,12-13,23H,4H2,1-3H3,(H,24,25)