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

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C20H24ClNO4S MolecularWeight: 409.92686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=C(S1)Cl)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC=C(S1)Cl)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H24ClNO4S/c1-11(18(24)26-10-15(23)16-2-3-17(21)27-16)22-19(25)20-7-12-4-13(8-20)6-14(5-12)9-20/h2-3,11-14H,4-10H2,1H3,(H,22,25)/t11-,12?,13?,14?,20?/m0/s1