[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 9,10-dioxoanthracene-1-carboxylate CAS Name: 9,10-dioxo-1-anthracenecarboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate Traditional Name: 9,10-diketoanthracene-1-carboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C26H19NO6S MolecularWeight: 473.49716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)SC

InChI

InChI=1S/C26H19NO6S/c1-14(28)27-20-12-15(10-11-22(20)34-2)21(29)13-33-26(32)19-9-5-8-18-23(19)25(31)17-7-4-3-6-16(17)24(18)30/h3-12H,13H2,1-2H3,(H,27,28)