methyl 4,5-dimethoxy-2-[[2-oxidanylidene-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]amino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[2-oxidanylidene-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]amino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[2-oxo-2-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]ethyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]amino]benzoate Traditional Name: 2-[[2-keto-2-[(2S)-2-(2-thienyl)pyrrolidino]ethyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NCC(=O)N2CCCC2C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NCC(=O)N2CCC[C@H]2C3=CC=CS3)OC

InChI

InChI=1S/C20H24N2O5S/c1-25-16-10-13(20(24)27-3)14(11-17(16)26-2)21-12-19(23)22-8-4-6-15(22)18-7-5-9-28-18/h5,7,9-11,15,21H,4,6,8,12H2,1-3H3/t15-/m0/s1