O-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-phenyl-hex-2-ynyl] N,N-dimethylcarbamothioate

Systemtic Name: O-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-phenyl-hex-2-ynyl] N,N-dimethylcarbamothioate Openeye Name: O-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-phenyl-hex-2-ynyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid O-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-phenylhex-2-ynyl] ester IUPAC Name: O-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-phenylhex-2-ynyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid O-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-phenyl-hex-2-ynyl] ester Formula: C20H27NO3S MolecularWeight: 361.49828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C(C#CCCCC2=CC=CC=C2)OC(=S)N(C)C)C

Isomeric SMILES

CC1(OC[C@@H](O1)[C@H](C#CCCCC2=CC=CC=C2)OC(=S)N(C)C)C

InChI

InChI=1S/C20H27NO3S/c1-20(2)22-15-18(24-20)17(23-19(25)21(3)4)14-10-6-9-13-16-11-7-5-8-12-16/h5,7-8,11-12,17-18H,6,9,13,15H2,1-4H3/t17-,18+/m0/s1