S-[1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-yl] benzenecarbothioate

Systemtic Name: S-[1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-yl] benzenecarbothioate Openeye Name: S-[1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]-3-pyrrolidinyl] ester IUPAC Name: S-[1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-yl] ester Formula: C23H27NO3S MolecularWeight: 397.53038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1SC(=O)C2=CC=CC=C2)CCCC3(OCCO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC1SC(=O)C2=CC=CC=C2)CCCC3(OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C23H27NO3S/c25-22(19-8-3-1-4-9-19)28-21-12-15-24(18-21)14-7-13-23(26-16-17-27-23)20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2