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

Systemtic Name: [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(2,5-dimethyl-1H-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-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NCCOC

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NCCOC

InChI

InChI=1S/C20H24N2O5S/c1-13-10-16(14(2)22-13)17(23)11-27-20(25)15-6-4-5-7-18(15)28-12-19(24)21-8-9-26-3/h4-7,10,22H,8-9,11-12H2,1-3H3,(H,21,24)