7-(1,3-benzothiazol-2-ylamino)heptanoate

Systemtic Name: 7-(1,3-benzothiazol-2-ylamino)heptanoate Openeye Name: 7-(1,3-benzothiazol-2-ylamino)heptanoate CAS Name: 7-(1,3-benzothiazol-2-ylamino)heptanoate IUPAC Name: 7-(1,3-benzothiazol-2-ylamino)heptanoate Traditional Name: 7-(1,3-benzothiazol-2-ylamino)enanthate Formula: C14H17N2O2S- MolecularWeight: 277.36198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NCCCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NCCCCCCC(=O)[O-]

InChI

InChI=1S/C14H18N2O2S/c17-13(18)9-3-1-2-6-10-15-14-16-11-7-4-5-8-12(11)19-14/h4-5,7-8H,1-3,6,9-10H2,(H,15,16)(H,17,18)/p-1