methyl (2S)-4-methyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]pentanoate Openeye Name: methyl (2S)-4-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoate CAS Name: (2S)-4-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoate Traditional Name: (2S)-4-methyl-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)valeric acid methyl ester Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)N1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C14H17NO5S/c1-9(2)8-11(14(17)20-3)15-13(16)10-6-4-5-7-12(10)21(15,18)19/h4-7,9,11H,8H2,1-3H3/t11-/m0/s1