methyl 2-[2-[1-adamantyl(methyl)amino]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[1-adamantyl(methyl)amino]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[1-adamantyl(methyl)amino]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC

InChI

InChI=1S/C21H30N2O3S/c1-4-16-8-17(20(25)26-3)19(27-16)22-18(24)12-23(2)21-9-13-5-14(10-21)7-15(6-13)11-21/h8,13-15H,4-7,9-12H2,1-3H3,(H,22,24)