4-oxidanylidene-4-sulfanyl-2-(4,5,6-triethyl-1,3-benzothiazol-2-yl)butanoic acid

Systemtic Name: 4-oxidanylidene-4-sulfanyl-2-(4,5,6-triethyl-1,3-benzothiazol-2-yl)butanoic acid Openeye Name: 4-oxo-4-sulfanyl-2-(4,5,6-triethyl-1,3-benzothiazol-2-yl)butanoic acid CAS Name: 4-mercapto-4-oxo-2-(4,5,6-triethyl-1,3-benzothiazol-2-yl)butanoic acid IUPAC Name: 4-oxo-4-sulfanyl-2-(4,5,6-triethyl-1,3-benzothiazol-2-yl)butanoic acid Traditional Name: 4-keto-4-mercapto-2-(4,5,6-triethyl-1,3-benzothiazol-2-yl)butyric acid Formula: C17H21NO3S2 MolecularWeight: 351.48354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C1CC)CC)N=C(S2)C(CC(=O)S)C(=O)O

Isomeric SMILES

CCC1=CC2=C(C(=C1CC)CC)N=C(S2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C17H21NO3S2/c1-4-9-7-13-15(11(6-3)10(9)5-2)18-16(23-13)12(17(20)21)8-14(19)22/h7,12H,4-6,8H2,1-3H3,(H,19,22)(H,20,21)