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

Systemtic Name: ethyl 2-(1-adamantylcarbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylamino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4-methyl-5-[(2-methylanilino)-oxomethyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H32N2O4S MolecularWeight: 480.61898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H32N2O4S/c1-4-33-25(31)21-16(3)22(23(30)28-20-8-6-5-7-15(20)2)34-24(21)29-26(32)27-12-17-9-18(13-27)11-19(10-17)14-27/h5-8,17-19H,4,9-14H2,1-3H3,(H,28,30)(H,29,32)