[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C20H25NO4S/c22-16(17-2-1-5-26-17)3-4-19(24)25-12-18(23)21-20-9-13-6-14(10-20)8-15(7-13)11-20/h1-2,5,13-15H,3-4,6-12H2,(H,21,23)