[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)NC(=O)C)C

InChI

InChI=1S/C22H30N2O4S/c1-12-13(2)29-20(24-14(3)25)19(12)21(27)28-10-18(26)23-11-22-7-15-4-16(8-22)6-17(5-15)9-22/h15-17H,4-11H2,1-3H3,(H,23,26)(H,24,25)