2-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-cyclohexyl-methoxy]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-cyclohexyl-methoxy]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-cyclohexyl-methoxy]amino]-2-oxo-acetic acid CAS Name: 2-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-cyclohexylmethoxy]amino]-2-oxoacetic acid IUPAC Name: 2-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-cyclohexylmethoxy]amino]-2-oxoacetic acid Traditional Name: 2-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-cyclohexyl-methoxy]amino]-2-keto-acetic acid Formula: C23H24N2O4S2 MolecularWeight: 456.57766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3)ONC(=O)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3)ONC(=O)C(=O)O

InChI

InChI=1S/C23H24N2O4S2/c26-21(22(27)28)25-29-20(16-6-2-1-3-7-16)17-12-10-15(11-13-17)14-30-23-24-18-8-4-5-9-19(18)31-23/h4-5,8-13,16,20H,1-3,6-7,14H2,(H,25,26)(H,27,28)