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

Systemtic Name: ethyl 2-(1-adamantylcarbonylamino)-5-[(3-methoxyphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylamino)-5-[(3-methoxyphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-5-[(3-methoxyanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylamino)-5-[(3-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-5-[(3-methoxyphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O5S/c1-4-34-25(31)21-15(2)22(23(30)28-19-6-5-7-20(11-19)33-3)35-24(21)29-26(32)27-12-16-8-17(13-27)10-18(9-16)14-27/h5-7,11,16-18H,4,8-10,12-14H2,1-3H3,(H,28,30)(H,29,32)