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

Systemtic Name: methyl 2-(1-adamantylcarbonylamino)-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(adamantane-1-carbonylamino)-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-5-[(4-ethoxycarbonylanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(adamantane-1-carbonylamino)-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-5-[(4-carbethoxyphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C28H32N2O6S MolecularWeight: 524.62848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC)C

InChI

InChI=1S/C28H32N2O6S/c1-4-36-25(32)19-5-7-20(8-6-19)29-23(31)22-15(2)21(26(33)35-3)24(37-22)30-27(34)28-12-16-9-17(13-28)11-18(10-16)14-28/h5-8,16-18H,4,9-14H2,1-3H3,(H,29,31)(H,30,34)