[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H30N2O4S/c1-3-4-17-8-18(29-13(17)2)20(26)28-12-19(25)23-21(27)24-22-9-14-5-15(10-22)7-16(6-14)11-22/h8,14-16H,3-7,9-12H2,1-2H3,(H2,23,24,25,27)