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2-(7-methyl-3-oxidanylidene-1,2-benzothiazol-2-yl)propanoic acid

2-(7-methyl-3-oxidanylidene-1,2-benzothiazol-2-yl)propanoic acid

Systemtic Name:2-(7-methyl-3-oxidanylidene-1,2-benzothiazol-2-yl)propanoic acid
Openeye Name:2-(7-methyl-3-oxo-1,2-benzothiazol-2-yl)propanoic acid
CAS Name:2-(7-methyl-3-oxo-1,2-benzothiazol-2-yl)propanoic acid
IUPAC Name:2-(7-methyl-3-oxo-1,2-benzothiazol-2-yl)propanoic acid
Traditional Name:2-(3-keto-7-methyl-1,2-benzothiazol-2-yl)propionic acid
Formula: C11H11NO3S
MolecularWeight: 237.27494
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SN(C2=O)C(C)C(=O)O


Isomeric SMILES

CC1=CC=CC2=C1SN(C2=O)C(C)C(=O)O


InChI

InChI=1S/C11H11NO3S/c1-6-4-3-5-8-9(6)16-12(10(8)13)7(2)11(14)15/h3-5,7H,1-2H3,(H,14,15)


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