[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S/c20-9-14-1-2-26-17(14)21-15(22)10-25-16(23)8-18-4-12-3-13(5-18)7-19(24,6-12)11-18/h1-2,12-13,24H,3-8,10-11H2,(H,21,22)