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

Systemtic Name: methyl 6-[[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: methyl 6-[[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[[[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C23H21N5O3S2 MolecularWeight: 479.57454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC(=O)C1CC=CCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H21N5O3S2/c1-31-22(30)16-7-3-2-6-15(16)21(29)24-14-10-11-18-20(12-14)33-23(25-18)32-13-28-19-9-5-4-8-17(19)26-27-28/h2-5,8-12,15-16H,6-7,13H2,1H3,(H,24,29)