(3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxylate Formula: C13H11N2O4S- MolecularWeight: 291.30244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N3CC(CC3=O)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N3C[C@H](CC3=O)C(=O)[O-]

InChI

InChI=1S/C13H12N2O4S/c1-19-8-2-3-9-10(5-8)20-13(14-9)15-6-7(12(17)18)4-11(15)16/h2-3,5,7H,4,6H2,1H3,(H,17,18)/p-1/t7-/m0/s1