[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O4S/c19-14-2-1-13(26-14)16(23)25-9-15(22)20-17(24)21-18-6-10-3-11(7-18)5-12(4-10)8-18/h1-2,10-12H,3-9H2,(H2,20,21,22,24)