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

Systemtic Name: (3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-keto-pyrrolidine-3-carboxylate Formula: C14H13N2O4S- MolecularWeight: 305.32902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CC(CC3=O)C(=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3C[C@H](CC3=O)C(=O)[O-]

InChI

InChI=1S/C14H14N2O4S/c1-2-20-9-3-4-10-11(6-9)21-14(15-10)16-7-8(13(18)19)5-12(16)17/h3-4,6,8H,2,5,7H2,1H3,(H,18,19)/p-1/t8-/m0/s1