[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C23H23ClO3S MolecularWeight: 414.94492

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)C4=CC=C(S4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)C4=CC=C(S4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C23H23ClO3S/c24-20-7-6-19(28-20)18(25)13-27-21(26)23-11-15-8-16(12-23)10-22(9-15,14-23)17-4-2-1-3-5-17/h1-7,15-16H,8-14H2