ethyl 3,5-dimethyl-4-[2-[pyridin-4-ylmethyl(thiophen-2-ylcarbonyl)amino]ethanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[2-[pyridin-4-ylmethyl(thiophen-2-ylcarbonyl)amino]ethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-[4-pyridylmethyl(thiophene-2-carbonyl)amino]acetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[1-oxo-2-[[oxo(thiophen-2-yl)methyl]-(pyridin-4-ylmethyl)amino]ethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-[pyridin-4-ylmethyl(thiophene-2-carbonyl)amino]acetyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[2-[4-pyridylmethyl(2-thenoyl)amino]acetyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN(CC2=CC=NC=C2)C(=O)C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN(CC2=CC=NC=C2)C(=O)C3=CC=CS3)C

InChI

InChI=1S/C22H23N3O4S/c1-4-29-22(28)20-14(2)19(15(3)24-20)17(26)13-25(12-16-7-9-23-10-8-16)21(27)18-6-5-11-30-18/h5-11,24H,4,12-13H2,1-3H3