[4-(5-sulfanylidene-1,2-dithiol-3-yl)phenyl] 8-oxidanylidene-8-phenylazanyl-octanoate

Systemtic Name: [4-(5-sulfanylidene-1,2-dithiol-3-yl)phenyl] 8-oxidanylidene-8-phenylazanyl-octanoate Openeye Name: [4-(5-thioxodithiol-3-yl)phenyl] 8-anilino-8-oxo-octanoate CAS Name: 8-anilino-8-oxooctanoic acid [4-(5-sulfanylidene-3-dithiolyl)phenyl] ester IUPAC Name: [4-(5-sulfanylidenedithiol-3-yl)phenyl] 8-anilino-8-oxooctanoate Traditional Name: 8-anilino-8-keto-caprylic acid [4-(5-thioxodithiol-3-yl)phenyl] ester Formula: C23H23NO3S3 MolecularWeight: 457.62862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)OC2=CC=C(C=C2)C3=CC(=S)SS3

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)OC2=CC=C(C=C2)C3=CC(=S)SS3

InChI

InChI=1S/C23H23NO3S3/c25-21(24-18-8-4-3-5-9-18)10-6-1-2-7-11-22(26)27-19-14-12-17(13-15-19)20-16-23(28)30-29-20/h3-5,8-9,12-16H,1-2,6-7,10-11H2,(H,24,25)