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

Systemtic Name: ethyl 2-(1-adamantylcarbonylamino)-5-[(2-ethoxycarbonylphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylamino)-5-[(2-ethoxycarbonylphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-5-[(2-ethoxycarbonylanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylamino)-5-[(2-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-5-[(2-carbethoxyphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H34N2O6S MolecularWeight: 538.65506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OCC)C

InChI

InChI=1S/C29H34N2O6S/c1-4-36-26(33)20-8-6-7-9-21(20)30-24(32)23-16(3)22(27(34)37-5-2)25(38-23)31-28(35)29-13-17-10-18(14-29)12-19(11-17)15-29/h6-9,17-19H,4-5,10-15H2,1-3H3,(H,30,32)(H,31,35)