[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C19H22ClNO4S MolecularWeight: 395.90028

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C19H22ClNO4S/c20-16-2-1-15(26-16)14(22)10-25-17(23)9-21-18(24)19-6-11-3-12(7-19)5-13(4-11)8-19/h1-2,11-13H,3-10H2,(H,21,24)