1-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]proline Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)NC2=NC3=CC=CC=C3S2)C(=O)O

Isomeric SMILES

C1CC(N(C1)CC(=O)NC2=NC3=CC=CC=C3S2)C(=O)O

InChI

InChI=1S/C14H15N3O3S/c18-12(8-17-7-3-5-10(17)13(19)20)16-14-15-9-4-1-2-6-11(9)21-14/h1-2,4,6,10H,3,5,7-8H2,(H,19,20)(H,15,16,18)