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

Systemtic Name: ethyl 2-[2-[(3-chloranyl-1-adamantyl)carbonyloxy]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-chloroadamantane-1-carbonyl)oxyacetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3-chloro-1-adamantyl)-oxomethoxy]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-chloroadamantane-1-carbonyl)oxyacetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-chloroadamantane-1-carbonyl)oxyacetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H30ClNO5S MolecularWeight: 516.0488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C27H30ClNO5S/c1-3-33-24(31)22-21(19-7-5-4-6-8-19)16(2)35-23(22)29-20(30)14-34-25(32)26-10-17-9-18(11-26)13-27(28,12-17)15-26/h4-8,17-18H,3,9-15H2,1-2H3,(H,29,30)