[4-(1,3-dithiolan-2-yl)phenyl] 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-(1-adamantylcarbonylamino)butanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C24H31NO3S2 MolecularWeight: 445.63784

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31NO3S2/c26-21(28-20-5-3-19(4-6-20)22-29-8-9-30-22)2-1-7-25-23(27)24-13-16-10-17(14-24)12-18(11-16)15-24/h3-6,16-18,22H,1-2,7-15H2,(H,25,27)