[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=CS4)C#N)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=CS4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C24H24N2O3S/c25-13-18-6-7-30-21(18)26-20(27)14-29-22(28)24-11-16-8-17(12-24)10-23(9-16,15-24)19-4-2-1-3-5-19/h1-7,16-17H,8-12,14-15H2,(H,26,27)