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

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid [2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

InChI=1S/C24H30N2O4S/c1-16(2)26-17(3)13-20(18(26)4)21(27)14-30-24(29)19-9-5-6-10-22(19)31-15-23(28)25-11-7-8-12-25/h5-6,9-10,13,16H,7-8,11-12,14-15H2,1-4H3