(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C19H20ClNO2S2 MolecularWeight: 393.9506

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC4=CSC(=N4)C5=CSC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC4=CSC(=N4)C5=CSC=C5

InChI

InChI=1S/C19H20ClNO2S2/c20-19-6-12-3-13(7-19)5-18(4-12,11-19)17(22)23-8-15-10-25-16(21-15)14-1-2-24-9-14/h1-2,9-10,12-13H,3-8,11H2/t12-,13+,18?,19?