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

Systemtic Name: 3-cyanopropyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate Openeye Name: 3-cyanopropyl 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 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 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 3-cyanopropyl ester Formula: C15H17N3O4S MolecularWeight: 335.37818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S/c16-9-3-4-11-22-14(19)8-5-10-17-15-12-6-1-2-7-13(12)23(20,21)18-15/h1-2,6-7H,3-5,8,10-11H2,(H,17,18)