7-(1,3-benzothiazol-6-ylcarbonylamino)heptanoic acid

Systemtic Name: 7-(1,3-benzothiazol-6-ylcarbonylamino)heptanoic acid Openeye Name: 7-(1,3-benzothiazole-6-carbonylamino)heptanoic acid CAS Name: 7-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]heptanoic acid IUPAC Name: 7-(1,3-benzothiazole-6-carbonylamino)heptanoic acid Traditional Name: 7-(1,3-benzothiazole-6-carbonylamino)enanthic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NCCCCCCC(=O)O)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NCCCCCCC(=O)O)SC=N2

InChI

InChI=1S/C15H18N2O3S/c18-14(19)5-3-1-2-4-8-16-15(20)11-6-7-12-13(9-11)21-10-17-12/h6-7,9-10H,1-5,8H2,(H,16,20)(H,18,19)