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

Systemtic Name: methyl 5-[2-(3-bromanyl-1-adamantyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[[2-(3-bromo-1-adamantyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 5-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(3-bromo-1-adamantyl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[2-(3-bromo-1-adamantyl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H22BrNO3S MolecularWeight: 412.34118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO3S/c1-23-16(22)13-2-3-15(24-13)20-14(21)9-17-5-11-4-12(6-17)8-18(19,7-11)10-17/h2-3,11-12H,4-10H2,1H3,(H,20,21)