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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=C(C=C1)C2=CC=CC=C2)CC(=O)N3CCCS3

Isomeric SMILES

CC(=O)SC(CC1=CC=C(C=C1)C2=CC=CC=C2)CC(=O)N3CCCS3

InChI

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