methyl 2-[2-[1-adamantyl(methyl)amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[1-adamantyl(methyl)amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[1-adamantyl(methyl)amino]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H30N2O3S/c1-27(25-11-16-8-17(12-25)10-18(9-16)13-25)14-21(28)26-23-22(24(29)30-2)20(15-31-23)19-6-4-3-5-7-19/h3-7,15-18H,8-14H2,1-2H3,(H,26,28)