4-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[[2-(ethylthio)-1,3-benzothiazol-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[[2-(ethylthio)-1,3-benzothiazol-6-yl]amino]-4-keto-butyric acid Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C13H14N2O3S2/c1-2-19-13-15-9-4-3-8(7-10(9)20-13)14-11(16)5-6-12(17)18/h3-4,7H,2,5-6H2,1H3,(H,14,16)(H,17,18)