O-propyl 5-(3,4-dimethylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carbothioate

Systemtic Name: O-propyl 5-(3,4-dimethylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carbothioate Openeye Name: O-propyl 5-(3,4-dimethylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbothioate CAS Name: 5-[(3,4-dimethylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carbothioic acid O-propyl ester IUPAC Name: O-propyl 5-(3,4-dimethylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbothioate Traditional Name: 5-(3,4-dimethylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbothioic acid O-propyl ester Formula: C20H23NO2S MolecularWeight: 341.46712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=S)C1CCN2C1=CC=C2C(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCOC(=S)C1CCN2C1=CC=C2C(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C20H23NO2S/c1-4-11-23-20(24)16-9-10-21-17(16)7-8-18(21)19(22)15-6-5-13(2)14(3)12-15/h5-8,12,16H,4,9-11H2,1-3H3