cyanomethyl (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-butanoate

Systemtic Name: cyanomethyl (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-butanoate Openeye Name: cyanomethyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylbutanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-butyric acid cyanomethyl ester Formula: C14H15N3O4S MolecularWeight: 321.3516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4S/c1-9(2)12(14(18)21-8-7-15)16-13-10-5-3-4-6-11(10)22(19,20)17-13/h3-6,9,12H,8H2,1-2H3,(H,16,17)/t12-/m0/s1