[2-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-(N-(1,1-diketo-2,3-dihydrothiophen-3-yl)anilino)-2-keto-ethyl] ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)N(C4CS(=O)(=O)C=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)N(C4CS(=O)(=O)C=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H27NO5S/c25-21(24(19-4-2-1-3-5-19)20-6-7-30(27,28)14-20)13-29-23(26)22-17-9-15-8-16(11-17)12-18(22)10-15/h1-7,15-18,20,22H,8-14H2