pyridin-2-ylmethyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate

Systemtic Name: pyridin-2-ylmethyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate Openeye Name: 2-pyridylmethyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoate CAS Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoate Traditional Name: 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]butyric acid 2-pyridylmethyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCC(=O)OCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCC(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C17H17N3O4S/c21-16(24-12-13-6-3-4-10-18-13)9-5-11-19-17-14-7-1-2-8-15(14)25(22,23)20-17/h1-4,6-8,10H,5,9,11-12H2,(H,19,20)