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

Systemtic Name: 3-cyanopropyl 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethanoate Openeye Name: 3-cyanopropyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetate CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetate Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]acetic acid 3-cyanopropyl ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S/c14-7-3-4-8-20-12(17)9-15-13-10-5-1-2-6-11(10)21(18,19)16-13/h1-2,5-6H,3-4,8-9H2,(H,15,16)