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

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[2-[(3-phenyl-1-adamantyl)carbonyloxy]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[[2-(3-phenyladamantane-1-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[1-oxo-2-[oxo-(3-phenyl-1-adamantyl)methoxy]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[2-(3-phenyladamantane-1-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[2-(3-phenyladamantane-1-carbonyl)oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C29H35NO5S MolecularWeight: 509.6569

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5)C

InChI

InChI=1S/C29H35NO5S/c1-4-22-18(3)36-25(24(22)26(32)34-5-2)30-23(31)16-35-27(33)29-14-19-11-20(15-29)13-28(12-19,17-29)21-9-7-6-8-10-21/h6-10,19-20H,4-5,11-17H2,1-3H3,(H,30,31)