[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 3-methylthiophene-2-carboxylate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 3-methylthiophene-2-carboxylate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 3-methylthiophene-2-carboxylate CAS Name: 3-methyl-2-thiophenecarboxylic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate Traditional Name: 3-methylthiophene-2-carboxylic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=C(SC=C1)C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C18H23NO3S/c1-10-2-3-23-17(10)18(21)22-9-15(20)19-16-13-5-11-4-12(7-13)8-14(16)6-11/h2-3,11-14,16H,4-9H2,1H3,(H,19,20)