[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(1-adamantylcarbonylamino)butanoate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO4S/c1-14-4-5-19(28-14)18(24)13-27-20(25)3-2-6-23-21(26)22-10-15-7-16(11-22)9-17(8-15)12-22/h4-5,15-17H,2-3,6-13H2,1H3,(H,23,26)