[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCCCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCCCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H30N2O3S/c27-21(26-24-12-16-9-17(13-24)11-18(10-16)14-24)15-29-23(28)8-4-3-7-22-25-19-5-1-2-6-20(19)30-22/h1-2,5-6,16-18H,3-4,7-15H2,(H,26,27)