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

Systemtic Name: 4-[(2-butylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-butylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[[2-(butylthio)-1,3-benzothiazol-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(2-butylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[[2-(butylthio)-1,3-benzothiazol-6-yl]amino]-4-keto-butyric acid Formula: C15H18N2O3S2 MolecularWeight: 338.44502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C15H18N2O3S2/c1-2-3-8-21-15-17-11-5-4-10(9-12(11)22-15)16-13(18)6-7-14(19)20/h4-5,9H,2-3,6-8H2,1H3,(H,16,18)(H,19,20)