2-[1-(5-methyl-1,3-benzothiazol-2-yl)-2-oxidanylidene-2-sulfanyl-ethyl]-2-propyl-pentanoic acid

Systemtic Name: 2-[1-(5-methyl-1,3-benzothiazol-2-yl)-2-oxidanylidene-2-sulfanyl-ethyl]-2-propyl-pentanoic acid Openeye Name: 2-[1-(5-methyl-1,3-benzothiazol-2-yl)-2-oxo-2-sulfanyl-ethyl]-2-propyl-pentanoic acid CAS Name: 2-[2-mercapto-1-(5-methyl-1,3-benzothiazol-2-yl)-2-oxoethyl]-2-propylpentanoic acid IUPAC Name: 2-[1-(5-methyl-1,3-benzothiazol-2-yl)-2-oxo-2-sulfanylethyl]-2-propylpentanoic acid Traditional Name: 2-[2-keto-2-mercapto-1-(5-methyl-1,3-benzothiazol-2-yl)ethyl]-2-propyl-valeric acid Formula: C18H23NO3S2 MolecularWeight: 365.51012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C(C1=NC2=C(S1)C=CC(=C2)C)C(=O)S)C(=O)O

Isomeric SMILES

CCCC(CCC)(C(C1=NC2=C(S1)C=CC(=C2)C)C(=O)S)C(=O)O

InChI

InChI=1S/C18H23NO3S2/c1-4-8-18(9-5-2,17(21)22)14(16(20)23)15-19-12-10-11(3)6-7-13(12)24-15/h6-7,10,14H,4-5,8-9H2,1-3H3,(H,20,23)(H,21,22)