5-(1,3-benzothiazol-2-ylamino)pentanoic acid

Systemtic Name: 5-(1,3-benzothiazol-2-ylamino)pentanoic acid Openeye Name: 5-(1,3-benzothiazol-2-ylamino)pentanoic acid CAS Name: 5-(1,3-benzothiazol-2-ylamino)pentanoic acid IUPAC Name: 5-(1,3-benzothiazol-2-ylamino)pentanoic acid Traditional Name: 5-(1,3-benzothiazol-2-ylamino)valeric acid Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NCCCCC(=O)O

InChI

InChI=1S/C12H14N2O2S/c15-11(16)7-3-4-8-13-12-14-9-5-1-2-6-10(9)17-12/h1-2,5-6H,3-4,7-8H2,(H,13,14)(H,15,16)