ethyl 2-(1-adamantylcarbonylamino)-5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1-adamantylcarbonylamino)-5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylamino)-5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-5-[(2,4-dimethoxyanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylamino)-5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H34N2O6S MolecularWeight: 526.64436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=C(C=C2)OC)OC)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=C(C=C2)OC)OC)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H34N2O6S/c1-5-36-26(32)22-15(2)23(24(31)29-20-7-6-19(34-3)11-21(20)35-4)37-25(22)30-27(33)28-12-16-8-17(13-28)10-18(9-16)14-28/h6-7,11,16-18H,5,8-10,12-14H2,1-4H3,(H,29,31)(H,30,33)