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

Systemtic Name: methyl 3-[2-(1-adamantyl)ethanoylamino]-4-methyl-thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(1-adamantyl)acetyl]amino]-4-methyl-thiophene-2-carboxylate CAS Name: 3-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(1-adamantyl)acetyl]amino]-4-methylthiophene-2-carboxylate Traditional Name: 3-[[2-(1-adamantyl)acetyl]amino]-4-methyl-thiophene-2-carboxylic acid methyl ester Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1NC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1NC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)OC

InChI

InChI=1S/C19H25NO3S/c1-11-10-24-17(18(22)23-2)16(11)20-15(21)9-19-6-12-3-13(7-19)5-14(4-12)8-19/h10,12-14H,3-9H2,1-2H3,(H,20,21)