dimethyl 5-[(1-prop-2-enoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl)methylcarbamoyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(1-prop-2-enoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl)methylcarbamoyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(1-allyloxycarbonyl-4-sulfanyl-pyrrolidin-2-yl)methylcarbamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-mercapto-1-[oxo(prop-2-enoxy)methyl]-2-pyrrolidinyl]methylamino]-oxomethyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1-prop-2-enoxycarbonyl-4-sulfanylpyrrolidin-2-yl)methylcarbamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[(1-allyloxycarbonyl-4-mercapto-pyrrolidin-2-yl)methylcarbamoyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2CC(CN2C(=O)OCC=C)S)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2CC(CN2C(=O)OCC=C)S)C(=O)OC

InChI

InChI=1S/C20H24N2O7S/c1-4-5-29-20(26)22-11-16(30)9-15(22)10-21-17(23)12-6-13(18(24)27-2)8-14(7-12)19(25)28-3/h4,6-8,15-16,30H,1,5,9-11H2,2-3H3,(H,21,23)