[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-methylthiophene-2-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-methylthiophene-2-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-methylthiophene-2-carboxylate CAS Name: 3-methyl-2-thiophenecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate Traditional Name: 3-methylthiophene-2-carboxylic acid [2-(1-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)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(SC=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

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