diphenyl 4-(1,3-benzothiazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylate

Systemtic Name: diphenyl 4-(1,3-benzothiazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylate Openeye Name: diphenyl 4-(1,3-benzothiazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylate CAS Name: 4-(1,3-benzothiazol-2-ylthio)cyclohexane-1,2-dicarboxylic acid diphenyl ester IUPAC Name: diphenyl 4-(1,3-benzothiazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)cyclohexane-1,2-dicarboxylic acid diphenyl ester Formula: C27H23NO4S2 MolecularWeight: 489.60582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1SC2=NC3=CC=CC=C3S2)C(=O)OC4=CC=CC=C4)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CC(C(CC1SC2=NC3=CC=CC=C3S2)C(=O)OC4=CC=CC=C4)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C27H23NO4S2/c29-25(31-18-9-3-1-4-10-18)21-16-15-20(33-27-28-23-13-7-8-14-24(23)34-27)17-22(21)26(30)32-19-11-5-2-6-12-19/h1-14,20-22H,15-17H2