S-propyl 1-methyl-3-oxidanylidene-1-(3-propylsulfanylcarbonylphenyl)-2-benzofuran-5-carbothioate

Systemtic Name: S-propyl 1-methyl-3-oxidanylidene-1-(3-propylsulfanylcarbonylphenyl)-2-benzofuran-5-carbothioate Openeye Name: S-propyl 1-methyl-3-oxo-1-(3-propylsulfanylcarbonylphenyl)isobenzofuran-5-carbothioate CAS Name: 1-methyl-3-oxo-1-[3-[oxo-(propylthio)methyl]phenyl]-5-isobenzofurancarbothioic acid S-propyl ester IUPAC Name: S-propyl 1-methyl-3-oxo-1-(3-propylsulfanylcarbonylphenyl)-2-benzofuran-5-carbothioate Traditional Name: 3-keto-1-methyl-1-[3-(propylthio)carbonylphenyl]phthalan-5-carbothioic acid S-propyl ester Formula: C23H24O4S2 MolecularWeight: 428.56426

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)C1=CC(=CC=C1)C2(C3=C(C=C(C=C3)C(=O)SCCC)C(=O)O2)C

Isomeric SMILES

CCCSC(=O)C1=CC(=CC=C1)C2(C3=C(C=C(C=C3)C(=O)SCCC)C(=O)O2)C

InChI

InChI=1S/C23H24O4S2/c1-4-11-28-21(25)15-7-6-8-17(13-15)23(3)19-10-9-16(22(26)29-12-5-2)14-18(19)20(24)27-23/h6-10,13-14H,4-5,11-12H2,1-3H3