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

Systemtic Name: methyl 2-(1-adamantylcarbonylamino)-5-[(2-chlorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(adamantane-1-carbonylamino)-5-[(2-chlorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-5-[(2-chloroanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(adamantane-1-carbonylamino)-5-[(2-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-5-[(2-chlorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H27ClN2O4S MolecularWeight: 487.01088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC=C5Cl

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC=C5Cl

InChI

InChI=1S/C25H27ClN2O4S/c1-13-19(23(30)32-2)22(33-20(13)21(29)27-18-6-4-3-5-17(18)26)28-24(31)25-10-14-7-15(11-25)9-16(8-14)12-25/h3-6,14-16H,7-12H2,1-2H3,(H,27,29)(H,28,31)