[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-1-methyl-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [1-[5-(acetamidomethyl)-2-thiophenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-1-methyl-ethyl] ester Formula: C21H26ClNO4S MolecularWeight: 423.95344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(S1)CNC(=O)C)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CC(C(=O)C1=CC=C(S1)CNC(=O)C)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H26ClNO4S/c1-12(18(25)17-4-3-16(28-17)10-23-13(2)24)27-19(26)20-6-14-5-15(7-20)9-21(22,8-14)11-20/h3-4,12,14-15H,5-11H2,1-2H3,(H,23,24)