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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC)C

InChI

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