[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: [2-[methyl(3-thienylmethyl)amino]-2-oxo-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid [2-[methyl(3-thiophenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid [2-keto-2-[methyl(3-thenyl)amino]ethyl] ester Formula: C26H31NO4S MolecularWeight: 453.59364

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)OC

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H31NO4S/c1-27(14-18-7-8-32-16-18)23(28)15-31-24(29)26-12-19-9-20(13-26)11-25(10-19,17-26)21-3-5-22(30-2)6-4-21/h3-8,16,19-20H,9-15,17H2,1-2H3