(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (2S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (2S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl (2S)-1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-adamantyl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S)-1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C24H28N2O4S2 MolecularWeight: 472.62012

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC(CC4C(=O)OCC5=CSC(=N5)C6=CSC=C6)O

Isomeric SMILES

C1[C@H](N(CC1O)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC5=CSC(=N5)C6=CSC=C6

InChI

InChI=1S/C24H28N2O4S2/c27-19-6-20(22(28)30-11-18-13-32-21(25-18)17-1-2-31-12-17)26(10-19)23(29)24-7-14-3-15(8-24)5-16(4-14)9-24/h1-2,12-16,19-20,27H,3-11H2/t14?,15?,16?,19?,20-,24?/m0/s1