[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(thiophene-2-carbonyl)benzoate CAS Name: 2-[oxo(thiophen-2-yl)methyl]benzoic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate Traditional Name: 2-(2-thenoyl)benzoic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CS3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CS3)C

InChI

InChI=1S/C22H21NO4S/c1-4-23-14(2)12-18(15(23)3)19(24)13-27-22(26)17-9-6-5-8-16(17)21(25)20-10-7-11-28-20/h5-12H,4,13H2,1-3H3