methyl 6-[[2-(2-acetyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 6-[[2-(2-acetyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: methyl 6-[[2-(2-acetoxyethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[[[2-(2-acetyloxyethylthio)-1,3-benzothiazol-6-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(2-acetyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[[2-(2-acetoxyethylthio)-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC=CCC3C(=O)OC

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC=CCC3C(=O)OC

InChI

InChI=1S/C20H22N2O5S2/c1-12(23)27-9-10-28-20-22-16-8-7-13(11-17(16)29-20)21-18(24)14-5-3-4-6-15(14)19(25)26-2/h3-4,7-8,11,14-15H,5-6,9-10H2,1-2H3,(H,21,24)