(2-azanyl-2-oxidanylidene-ethyl) 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (2-amino-2-keto-ethyl) ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)N

InChI

InChI=1S/C13H14N2O3S/c14-11(16)8-18-13(17)7-3-6-12-15-9-4-1-2-5-10(9)19-12/h1-2,4-5H,3,6-8H2,(H2,14,16)