[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H26ClNO4S MolecularWeight: 423.95344

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CCC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CCC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H26ClNO4S/c22-18-3-2-17(28-18)16(24)1-4-20(26)27-11-19(25)23-12-21-8-13-5-14(9-21)7-15(6-13)10-21/h2-3,13-15H,1,4-12H2,(H,23,25)