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

Systemtic Name: 4-oxidanylidene-4-[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]butanoic acid Openeye Name: 4-[(2-allylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[[2-(prop-2-enylthio)-1,3-benzothiazol-6-yl]amino]butanoic acid IUPAC Name: 4-oxo-4-[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]butanoic acid Traditional Name: 4-[[2-(allylthio)-1,3-benzothiazol-6-yl]amino]-4-keto-butyric acid Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3S2/c1-2-7-20-14-16-10-4-3-9(8-11(10)21-14)15-12(17)5-6-13(18)19/h2-4,8H,1,5-7H2,(H,15,17)(H,18,19)