[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] anthracene-9-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] anthracene-9-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C25H21NO3S MolecularWeight: 415.50414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C25H21NO3S/c27-23(26-14-15-30-20-10-2-1-3-11-20)17-29-25(28)24-21-12-6-4-8-18(21)16-19-9-5-7-13-22(19)24/h1-13,16H,14-15,17H2,(H,26,27)