4-[[2-(cyclohexylmethylsulfanyl)-1,3-benzothiazol-6-yl]sulfonyl]-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[[2-(cyclohexylmethylsulfanyl)-1,3-benzothiazol-6-yl]sulfonyl]-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[[2-(cyclohexylmethylsulfanyl)-1,3-benzothiazol-6-yl]sulfonyl]-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[[2-(cyclohexylmethylthio)-1,3-benzothiazol-6-yl]sulfonyl]-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[[2-(cyclohexylmethylsulfanyl)-1,3-benzothiazol-6-yl]sulfonyl]-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[[2-(cyclohexylmethylthio)-1,3-benzothiazol-6-yl]sulfonyl]-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C21H28N2O4S4 MolecularWeight: 500.71802

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)SCC4CCCCC4)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)SCC4CCCCC4)C(=O)O)C

InChI

InChI=1S/C21H28N2O4S4/c1-21(2)18(19(24)25)23(10-11-29-21)31(26,27)15-8-9-16-17(12-15)30-20(22-16)28-13-14-6-4-3-5-7-14/h8-9,12,14,18H,3-7,10-11,13H2,1-2H3,(H,24,25)