[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbamoyl)benzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbamoyl)benzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 2-(1-adamantylcarbamoyl)benzoate CAS Name: 2-[(1-adamantylamino)-oxomethyl]benzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(1-adamantylcarbamoyl)benzoate Traditional Name: 2-(1-adamantylcarbamoyl)benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C24H24ClNO4S MolecularWeight: 457.96966

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4C(=O)OCC(=O)C5=CC=C(S5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4C(=O)OCC(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C24H24ClNO4S/c25-21-6-5-20(31-21)19(27)13-30-23(29)18-4-2-1-3-17(18)22(28)26-24-10-14-7-15(11-24)9-16(8-14)12-24/h1-6,14-16H,7-13H2,(H,26,28)