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

Systemtic Name: 3-cyanopropyl (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: 3-cyanopropyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate CAS Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate Traditional Name: (2S)-2-[(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:

CC(C(=O)OCCCC#N)NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

C[C@@H](C(=O)OCCCC#N)NC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C14H15N3O4S/c1-10(14(18)21-9-5-4-8-15)16-13-11-6-2-3-7-12(11)22(19,20)17-13/h2-3,6-7,10H,4-5,9H2,1H3,(H,16,17)/t10-/m0/s1