[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate CAS Name: 4H-thieno[3,2-c][1]benzopyran-2-carboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Traditional Name: 4H-thieno[3,2-c]chromene-2-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC5=C(S4)C6=CC=CC=C6OC5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC5=C(S4)C6=CC=CC=C6OC5

InChI

InChI=1S/C24H25NO4S/c26-21(25-24-9-14-5-15(10-24)7-16(6-14)11-24)13-29-23(27)20-8-17-12-28-19-4-2-1-3-18(19)22(17)30-20/h1-4,8,14-16H,5-7,9-13H2,(H,25,26)