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

Systemtic Name: ethyl 5-[2-(3-bromanyl-1-adamantyl)ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(3-bromo-1-adamantyl)acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(3-bromo-1-adamantyl)acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(3-bromo-1-adamantyl)acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H26BrNO3S MolecularWeight: 440.39434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)C

InChI

InChI=1S/C20H26BrNO3S/c1-3-25-18(24)17-12(2)4-16(26-17)22-15(23)10-19-6-13-5-14(7-19)9-20(21,8-13)11-19/h4,13-14H,3,5-11H2,1-2H3,(H,22,23)