[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]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-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NCCOC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NCCOC)C

InChI

InChI=1S/C22H28N2O5S/c1-5-24-15(2)12-18(16(24)3)19(25)13-29-22(27)17-8-6-7-9-20(17)30-14-21(26)23-10-11-28-4/h6-9,12H,5,10-11,13-14H2,1-4H3,(H,23,26)