1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid Traditional Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-keto-pyrrolidine-3-carboxylic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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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)N3CC(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)