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

Systemtic Name: S-(4-chlorophenyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanethioate Openeye Name: S-(4-chlorophenyl) 4-(1,3-dioxoisoindolin-2-yl)butanethioate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanethioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) 4-(1,3-dioxoisoindol-2-yl)butanethioate Traditional Name: 4-phthalimidobutanethioic acid S-(4-chlorophenyl) ester Formula: C18H14ClNO3S MolecularWeight: 359.82666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClNO3S/c19-12-7-9-13(10-8-12)24-16(21)6-3-11-20-17(22)14-4-1-2-5-15(14)18(20)23/h1-2,4-5,7-10H,3,6,11H2