[2-[[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[[1-(2-chlorophenyl)-2-oxo-cyclohexyl]-methyl-amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[[1-(2-chlorophenyl)-2-keto-cyclohexyl]-methyl-amino]-2-keto-ethyl] ester Formula: C23H21ClN2O4S MolecularWeight: 456.94184

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC2=C(C=C1)N=CS2)C3(CCCCC3=O)C4=CC=CC=C4Cl

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC2=C(C=C1)N=CS2)C3(CCCCC3=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H21ClN2O4S/c1-26(23(11-5-4-8-20(23)27)16-6-2-3-7-17(16)24)21(28)13-30-22(29)15-9-10-18-19(12-15)31-14-25-18/h2-3,6-7,9-10,12,14H,4-5,8,11,13H2,1H3