[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4,5-bis(bromanyl)thiophene-2-carboxylate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H20Br2N2O4S MolecularWeight: 520.2354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20Br2N2O4S/c19-12-4-13(27-15(12)20)16(24)26-8-14(23)21-17(25)22-18-5-9-1-10(6-18)3-11(2-9)7-18/h4,9-11H,1-3,5-8H2,(H2,21,22,23,25)