[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-chloranyladamantane-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C19H24ClNO3S MolecularWeight: 381.91676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C19H24ClNO3S/c1-12(16(22)21-10-15-3-2-4-25-15)24-17(23)18-6-13-5-14(7-18)9-19(20,8-13)11-18/h2-4,12-14H,5-11H2,1H3,(H,21,22)