methyl 2-(1-adamantylcarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(1-adamantylcarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 2-(adamantane-1-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-5-[anilino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(adamantane-1-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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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=C5

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H28N2O4S/c1-14-19(23(29)31-2)22(32-20(14)21(28)26-18-6-4-3-5-7-18)27-24(30)25-11-15-8-16(12-25)10-17(9-15)13-25/h3-7,15-17H,8-13H2,1-2H3,(H,26,28)(H,27,30)