[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H25ClN2O3S MolecularWeight: 481.0063

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(S6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(S6)Cl

InChI

InChI=1S/C26H25ClN2O3S/c27-23-6-5-22(33-23)21-10-19(18-3-1-2-4-20(18)28-21)25(31)32-14-24(30)29-26-11-15-7-16(12-26)9-17(8-15)13-26/h1-6,10,15-17H,7-9,11-14H2,(H,29,30)