O4-(1,3-benzothiazol-2-ylsulfanyl) O1-cyclohexyl 2-cyclohexylbutanedioate

Systemtic Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-cyclohexyl 2-cyclohexylbutanedioate Openeye Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-cyclohexyl 2-cyclohexylbutanedioate CAS Name: 2-cyclohexylbutanedioic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-cyclohexyl ester IUPAC Name: 4-O-(1,3-benzothiazol-2-ylsulfanyl) 1-O-cyclohexyl 2-cyclohexylbutanedioate Traditional Name: 2-cyclohexylsuccinic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-cyclohexyl ester Formula: C23H29NO4S2 MolecularWeight: 447.61066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)OSC2=NC3=CC=CC=C3S2)C(=O)OC4CCCCC4

Isomeric SMILES

C1CCC(CC1)C(CC(=O)OSC2=NC3=CC=CC=C3S2)C(=O)OC4CCCCC4

InChI

InChI=1S/C23H29NO4S2/c25-21(28-30-23-24-19-13-7-8-14-20(19)29-23)15-18(16-9-3-1-4-10-16)22(26)27-17-11-5-2-6-12-17/h7-8,13-14,16-18H,1-6,9-12,15H2