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

Systemtic Name: methyl (2S)-3-methyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]pentanoate Openeye Name: methyl (2S)-3-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoate CAS Name: (2S)-3-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoate Traditional Name: (2S)-3-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S/c1-4-9(2)12(14(17)20-3)15-13(16)10-7-5-6-8-11(10)21(15,18)19/h5-9,12H,4H2,1-3H3/t9?,12-/m0/s1