methyl 4,5-dimethyl-2-[2-[(3-phenyl-1-adamantyl)carbonyloxy]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-[(3-phenyl-1-adamantyl)carbonyloxy]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-(3-phenyladamantane-1-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[oxo-(3-phenyl-1-adamantyl)methoxy]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-(3-phenyladamantane-1-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(3-phenyladamantane-1-carbonyl)oxyacetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5)C

InChI

InChI=1S/C27H31NO5S/c1-16-17(2)34-23(22(16)24(30)32-3)28-21(29)14-33-25(31)27-12-18-9-19(13-27)11-26(10-18,15-27)20-7-5-4-6-8-20/h4-8,18-19H,9-15H2,1-3H3,(H,28,29)