[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C25H26ClNO4S2 MolecularWeight: 504.06124

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCC(=O)C5=CC=C(S5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCC(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C25H26ClNO4S2/c26-22-6-5-21(33-22)19(28)13-31-24(30)18-3-1-2-4-20(18)32-14-23(29)27-25-10-15-7-16(11-25)9-17(8-15)12-25/h1-6,15-17H,7-14H2,(H,27,29)