4-[[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-[[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]amino]butyric acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CNCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CNCCCC(=O)O

InChI

InChI=1S/C13H15N3O3S/c17-11(8-14-7-3-6-12(18)19)16-13-15-9-4-1-2-5-10(9)20-13/h1-2,4-5,14H,3,6-8H2,(H,18,19)(H,15,16,17)