4-[(2-hex-5-enylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-hex-5-enylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-hex-5-enylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[[2-(hex-5-enylthio)-1,3-benzothiazol-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(2-hex-5-enylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[[2-(hex-5-enylthio)-1,3-benzothiazol-6-yl]amino]-4-keto-butyric acid Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

C=CCCCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C17H20N2O3S2/c1-2-3-4-5-10-23-17-19-13-7-6-12(11-14(13)24-17)18-15(20)8-9-16(21)22/h2,6-7,11H,1,3-5,8-10H2,(H,18,20)(H,21,22)