S-[1-oxidanylidene-4-(4-phenylphenyl)-1-(1,2-thiazolidin-2-yl)butan-2-yl] ethanethioate

Systemtic Name: S-[1-oxidanylidene-4-(4-phenylphenyl)-1-(1,2-thiazolidin-2-yl)butan-2-yl] ethanethioate Openeye Name: S-[1-(isothiazolidine-2-carbonyl)-3-(4-phenylphenyl)propyl] ethanethioate CAS Name: ethanethioic acid S-[1-(2-isothiazolidinyl)-1-oxo-4-(4-phenylphenyl)butan-2-yl] ester IUPAC Name: S-[1-oxo-4-(4-phenylphenyl)-1-(1,2-thiazolidin-2-yl)butan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-(isothiazolidine-2-carbonyl)-3-(4-phenylphenyl)propyl] ester Formula: C21H23NO2S2 MolecularWeight: 385.54282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)N3CCCS3

Isomeric SMILES

CC(=O)SC(CCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)N3CCCS3

InChI

InChI=1S/C21H23NO2S2/c1-16(23)26-20(21(24)22-14-5-15-25-22)13-10-17-8-11-19(12-9-17)18-6-3-2-4-7-18/h2-4,6-9,11-12,20H,5,10,13-15H2,1H3