3-cyanopropyl 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate

Systemtic Name: 3-cyanopropyl 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: 3-cyanopropyl 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionic acid 3-cyanopropyl ester Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)OCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)OCCCC#N

InChI

InChI=1S/C14H15N3O4S/c15-8-3-4-10-21-13(18)7-9-16-14-11-5-1-2-6-12(11)22(19,20)17-14/h1-2,5-6H,3-4,7,9-10H2,(H,16,17)