[4-(thiophen-2-ylcarbonylamino)phenyl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [4-(2-thenoylamino)phenyl] ester Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC5=CC=C(C=C5)NC(=O)C6=CC=CS6

Isomeric SMILES

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC5=CC=C(C=C5)NC(=O)C6=CC=CS6

InChI

InChI=1S/C27H30N2O4S/c30-24(23-4-2-10-34-23)28-20-5-7-21(8-6-20)33-25(31)22-3-1-9-29(22)26(32)27-14-17-11-18(15-27)13-19(12-17)16-27/h2,4-8,10,17-19,22H,1,3,9,11-16H2,(H,28,30)