(4-methoxycarbonylphenyl) (2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]pyrrolidine-2-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) (2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]pyrrolidine-2-carboxylate Openeye Name: (4-methoxycarbonylphenyl) (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-pyrrolidinecarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(1,1-diketo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)C2CCCN2C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)[C@@H]2CCCN2C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H18N2O6S/c1-27-19(23)13-8-10-14(11-9-13)28-20(24)16-6-4-12-22(16)18-15-5-2-3-7-17(15)29(25,26)21-18/h2-3,5,7-11,16H,4,6,12H2,1H3/t16-/m0/s1