[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C21H22ClNO3S/c22-18-15-3-1-2-4-16(15)27-20(18)21(25)26-10-17(24)23-19-13-6-11-5-12(8-13)9-14(19)7-11/h1-4,11-14,19H,5-10H2,(H,23,24)