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

Systemtic Name: methyl 2-(1-adamantylcarbonylamino)-4-methyl-5-[(3-methylphenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: methyl 2-(adamantane-1-carbonylamino)-4-methyl-5-(m-tolylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4-methyl-5-[(3-methylanilino)-oxomethyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(adamantane-1-carbonylamino)-4-methyl-5-[(3-methylphenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-4-methyl-5-(m-tolylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC)C

InChI

InChI=1S/C26H30N2O4S/c1-14-5-4-6-19(7-14)27-22(29)21-15(2)20(24(30)32-3)23(33-21)28-25(31)26-11-16-8-17(12-26)10-18(9-16)13-26/h4-7,16-18H,8-13H2,1-3H3,(H,27,29)(H,28,31)