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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H26N2O3S/c25-19(24-22-10-14-7-15(11-22)9-16(8-14)12-22)13-27-21(26)6-5-20-23-17-3-1-2-4-18(17)28-20/h1-4,14-16H,5-13H2,(H,24,25)