[4-[(E)-[2-(1-adamantyl)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-[2-(1-adamantyl)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-[[2-(1-adamantyl)acetyl]hydrazono]methyl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-[[2-(1-adamantyl)-1-oxoethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[[2-(1-adamantyl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-[[2-(1-adamantyl)acetyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)CC23CC4CC(C2)CC(C4)C3)OC(=O)C5=CC=CS5

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)CC23CC4CC(C2)CC(C4)C3)OC(=O)C5=CC=CS5

InChI

InChI=1S/C25H28N2O4S/c1-30-21-10-16(4-5-20(21)31-24(29)22-3-2-6-32-22)15-26-27-23(28)14-25-11-17-7-18(12-25)9-19(8-17)13-25/h2-6,10,15,17-19H,7-9,11-14H2,1H3,(H,27,28)/b26-15+