S-(4-chlorophenyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanethioate

Systemtic Name: S-(4-chlorophenyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanethioate Openeye Name: S-(4-chlorophenyl) 3-(1,3-dioxoisoindolin-2-yl)propanethioate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanethioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) 3-(1,3-dioxoisoindol-2-yl)propanethioate Traditional Name: 3-phthalimidopropanethioic acid S-(4-chlorophenyl) ester Formula: C17H12ClNO3S MolecularWeight: 345.80008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClNO3S/c18-11-5-7-12(8-6-11)23-15(20)9-10-19-16(21)13-3-1-2-4-14(13)17(19)22/h1-8H,9-10H2