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

Systemtic Name: ethyl 2-(1-adamantylcarbonylamino)-5-[(3-chloranyl-2-methyl-phenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylamino)-5-[(3-chloro-2-methyl-phenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-5-[(3-chloro-2-methylanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylamino)-5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-5-[(3-chloro-2-methyl-phenyl)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=C(C(=CC=C2)Cl)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

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