(1R,3S)-5-[(E)-2-thiophen-2-ylethenyl]adamantan-2-one

Systemtic Name: (1R,3S)-5-[(E)-2-thiophen-2-ylethenyl]adamantan-2-one Openeye Name: (1R,3S)-5-[(E)-2-(2-thienyl)vinyl]adamantan-2-one CAS Name: (1R,3S)-5-[(E)-2-thiophen-2-ylethenyl]-2-adamantanone IUPAC Name: (1R,3S)-5-[(E)-2-thiophen-2-ylethenyl]adamantan-2-one Traditional Name: (1R,3S)-5-[(E)-2-(2-thienyl)vinyl]adamantan-2-one Formula: C16H18OS MolecularWeight: 258.37852

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3=O)C=CC4=CC=CS4

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2=O)CC1C3)/C=C/C4=CC=CS4

InChI

InChI=1S/C16H18OS/c17-15-12-6-11-7-13(15)10-16(8-11,9-12)4-3-14-2-1-5-18-14/h1-5,11-13H,6-10H2/b4-3+/t11?,12-,13+,16?