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

Systemtic Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid [2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=CC=C3SCC(=O)NC(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=CC=C3SCC(=O)NC(C)C

InChI

InChI=1S/C26H28N2O4S/c1-17(2)27-25(30)16-33-24-13-9-8-12-21(24)26(31)32-15-23(29)22-14-18(3)28(19(22)4)20-10-6-5-7-11-20/h5-14,17H,15-16H2,1-4H3,(H,27,30)