[(3S)-3-(ethoxycarbonylamino)-2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3S)-3-(ethoxycarbonylamino)-2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-methylbenzenesulfonate Openeye Name: [(3S)-3-(ethoxycarbonylamino)-2,5-dioxo-pyrrolidin-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S)-3-(ethoxycarbonylamino)-2,5-dioxo-1-pyrrolidinyl] ester IUPAC Name: [(3S)-3-(ethoxycarbonylamino)-2,5-dioxopyrrolidin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S)-3-(carbethoxyamino)-2,5-diketo-pyrrolidino] ester Formula: C14H16N2O7S MolecularWeight: 356.35104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1CC(=O)N(C1=O)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)N[C@H]1CC(=O)N(C1=O)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C14H16N2O7S/c1-3-22-14(19)15-11-8-12(17)16(13(11)18)23-24(20,21)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3,(H,15,19)/t11-/m0/s1