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

Systemtic Name: ethyl 2-(1-adamantylcarbonylamino)-5-[(3-chloranyl-4-methyl-phenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylamino)-5-[(3-chloro-4-methyl-phenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-5-[(3-chloro-4-methylanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylamino)-5-[(3-chloro-4-methylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-5-[(3-chloro-4-methyl-phenyl)carbamoyl]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31ClN2O4S MolecularWeight: 515.06404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClN2O4S/c1-4-34-25(32)21-15(3)22(23(31)29-19-6-5-14(2)20(28)10-19)35-24(21)30-26(33)27-11-16-7-17(12-27)9-18(8-16)13-27/h5-6,10,16-18H,4,7-9,11-13H2,1-3H3,(H,29,31)(H,30,33)