[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 9,10-dioxoanthracene-1-carboxylate CAS Name: 9,10-dioxo-1-anthracenecarboxylic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 9,10-dioxoanthracene-1-carboxylate Traditional Name: 9,10-diketoanthracene-1-carboxylic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C26H19NO6S MolecularWeight: 473.49716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H19NO6S/c28-21(13-14-34-16-7-2-1-3-8-16)27-22(29)15-33-26(32)20-12-6-11-19-23(20)25(31)18-10-5-4-9-17(18)24(19)30/h1-12H,13-15H2,(H,27,28,29)