ethyl 2-[2-(1-adamantyl)ethanoylamino]-5-[(4-chlorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-adamantyl)ethanoylamino]-5-[(4-chlorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-5-[(4-chlorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-5-[(4-chloroanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-5-[(4-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-5-[(4-chlorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31ClN2O4S MolecularWeight: 515.06404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=C(C=C2)Cl)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=C(C=C2)Cl)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31ClN2O4S/c1-3-34-26(33)22-15(2)23(24(32)29-20-6-4-19(28)5-7-20)35-25(22)30-21(31)14-27-11-16-8-17(12-27)10-18(9-16)13-27/h4-7,16-18H,3,8-14H2,1-2H3,(H,29,32)(H,30,31)