dicyclohexyl 2-(1,3-benzothiazol-2-yl)propanedioate

Systemtic Name: dicyclohexyl 2-(1,3-benzothiazol-2-yl)propanedioate Openeye Name: dicyclohexyl 2-(1,3-benzothiazol-2-yl)propanedioate CAS Name: 2-(1,3-benzothiazol-2-yl)propanedioic acid dicyclohexyl ester IUPAC Name: dicyclohexyl 2-(1,3-benzothiazol-2-yl)propanedioate Traditional Name: 2-(1,3-benzothiazol-2-yl)malonic acid dicyclohexyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C2=NC3=CC=CC=C3S2)C(=O)OC4CCCCC4

Isomeric SMILES

C1CCC(CC1)OC(=O)C(C2=NC3=CC=CC=C3S2)C(=O)OC4CCCCC4

InChI

InChI=1S/C22H27NO4S/c24-21(26-15-9-3-1-4-10-15)19(22(25)27-16-11-5-2-6-12-16)20-23-17-13-7-8-14-18(17)28-20/h7-8,13-16,19H,1-6,9-12H2