ethyl 5-[(2S)-2-(1-benzothiophen-2-ylcarbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-2-(1-benzothiophen-2-ylcarbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(benzothiophene-2-carbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[1-benzothiophen-2-yl(oxo)methoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(1-benzothiophene-2-carbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(benzothiophene-2-carbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=CC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)OC(=O)C2=CC3=CC=CC=C3S2)C

InChI

InChI=1S/C21H21NO5S/c1-5-26-21(25)17-11(2)18(22-12(17)3)19(23)13(4)27-20(24)16-10-14-8-6-7-9-15(14)28-16/h6-10,13,22H,5H2,1-4H3/t13-/m0/s1