methyl 2-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(9,10-dioxo-2-anthryl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[(9,10-dioxo-2-anthracenyl)sulfonylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(9,10-diketo-2-anthryl)sulfonylamino]-4-(methylthio)butyric acid methyl ester Formula: C20H19NO6S2 MolecularWeight: 433.49796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NS(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C(CCSC)NS(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H19NO6S2/c1-27-20(24)17(9-10-28-2)21-29(25,26)12-7-8-15-16(11-12)19(23)14-6-4-3-5-13(14)18(15)22/h3-8,11,17,21H,9-10H2,1-2H3