[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H22N2O7S/c1-3-25-17(22)18-15(20)11-26-16(21)14-5-4-10-19(14)27(23,24)13-8-6-12(2)7-9-13/h6-9,14H,3-5,10-11H2,1-2H3,(H,18,20,22)