2-(4-chlorophenyl)sulfanylethyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C19H23ClO3S MolecularWeight: 366.90212

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H23ClO3S/c20-15-1-3-16(4-2-15)24-6-5-23-17(21)18-8-13-7-14(9-18)11-19(22,10-13)12-18/h1-4,13-14,22H,5-12H2/t13-,14+,18?,19?