[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2CC(CN2C(=O)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2CC(CN2C(=O)C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C24H29N3O5S/c1-13(20(29)26-21-17(11-25)2-3-33-21)32-22(30)19-7-18(28)12-27(19)23(31)24-8-14-4-15(9-24)6-16(5-14)10-24/h2-3,13-16,18-19,28H,4-10,12H2,1H3,(H,26,29)