[4-(1,3-dithiolan-2-yl)phenyl] 2-(4-acetamidophenyl)sulfanylethanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-(4-acetamidophenyl)sulfanylethanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-(4-acetamidophenyl)sulfanylacetate CAS Name: 2-[(4-acetamidophenyl)thio]acetic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-(4-acetamidophenyl)sulfanylacetate Traditional Name: 2-[(4-acetamidophenyl)thio]acetic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C19H19NO3S3 MolecularWeight: 405.55406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)OC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)OC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C19H19NO3S3/c1-13(21)20-15-4-8-17(9-5-15)26-12-18(22)23-16-6-2-14(3-7-16)19-24-10-11-25-19/h2-9,19H,10-12H2,1H3,(H,20,21)