[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C20H25ClN2O4S MolecularWeight: 424.9415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O4S/c21-17-2-1-16(28-17)15(24)11-27-18(25)3-4-22-19(26)23-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-2,12-14H,3-11H2,(H2,22,23,26)