methyl 3-(3,4-dimethoxyphenyl)-3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)carbonylamino]propanoate Openeye Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(5-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoate CAS Name: 3-(3,4-dimethoxyphenyl)-3-[[oxo-[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(5-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)-3-[(5-pyrrolidinosulfonyl-2-furoyl)amino]propionic acid methyl ester Formula: C21H26N2O8S MolecularWeight: 466.50474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC=C(O2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC=C(O2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C21H26N2O8S/c1-28-16-7-6-14(12-18(16)29-2)15(13-19(24)30-3)22-21(25)17-8-9-20(31-17)32(26,27)23-10-4-5-11-23/h6-9,12,15H,4-5,10-11,13H2,1-3H3,(H,22,25)