ethyl 2-[2-(1-adamantyl)ethanoylamino]-5-[(2-methoxyphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-adamantyl)ethanoylamino]-5-[(2-methoxyphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-5-[(2-methoxyanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H34N2O5S MolecularWeight: 510.64496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2OC)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2OC)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H34N2O5S/c1-4-35-27(33)23-16(2)24(25(32)29-20-7-5-6-8-21(20)34-3)36-26(23)30-22(31)15-28-12-17-9-18(13-28)11-19(10-17)14-28/h5-8,17-19H,4,9-15H2,1-3H3,(H,29,32)(H,30,31)