methyl 2-[2-[1-adamantyl(methyl)amino]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[1-adamantyl(methyl)amino]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[1-adamantyl(methyl)amino]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CN(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CN(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C26H32N2O3S/c1-16-22(20-7-5-4-6-8-20)23(25(30)31-3)24(32-16)27-21(29)15-28(2)26-12-17-9-18(13-26)11-19(10-17)14-26/h4-8,17-19H,9-15H2,1-3H3,(H,27,29)