3-(5-methoxy-2-sulfanylidene-1,3-benzothiazol-3-yl)propanoic acid

Systemtic Name: 3-(5-methoxy-2-sulfanylidene-1,3-benzothiazol-3-yl)propanoic acid Openeye Name: 3-(5-methoxy-2-thioxo-1,3-benzothiazol-3-yl)propanoic acid CAS Name: 3-(5-methoxy-2-sulfanylidene-1,3-benzothiazol-3-yl)propanoic acid IUPAC Name: 3-(5-methoxy-2-sulfanylidene-1,3-benzothiazol-3-yl)propanoic acid Traditional Name: 3-(5-methoxy-2-thioxo-1,3-benzothiazol-3-yl)propionic acid Formula: C11H11NO3S2 MolecularWeight: 269.33994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=S)N2CCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=S)N2CCC(=O)O

InChI

InChI=1S/C11H11NO3S2/c1-15-7-2-3-9-8(6-7)12(11(16)17-9)5-4-10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)