4-methylsulfanyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]butanoic acid Openeye Name: 2-[benzyl-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[2-(pentylthio)-1,3-benzothiazol-6-yl]sulfonyl-(phenylmethyl)amino]butanoic acid IUPAC Name: 2-[benzyl-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(amylthio)-1,3-benzothiazol-6-yl]sulfonyl-benzyl-amino]-4-(methylthio)butyric acid Formula: C24H30N2O4S4 MolecularWeight: 538.766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C(CCSC)C(=O)O

Isomeric SMILES

CCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C(CCSC)C(=O)O

InChI

InChI=1S/C24H30N2O4S4/c1-3-4-8-14-32-24-25-20-12-11-19(16-22(20)33-24)34(29,30)26(17-18-9-6-5-7-10-18)21(23(27)28)13-15-31-2/h5-7,9-12,16,21H,3-4,8,13-15,17H2,1-2H3,(H,27,28)