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

Systemtic Name: methyl 2-[[9,10-bis(oxidanylidene)anthracen-2-yl]carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(9,10-dioxo-2-anthryl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[(9,10-dioxo-2-anthracenyl)amino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(9,10-dioxoanthracen-2-yl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(9,10-diketo-2-anthryl)carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O5S/c1-28-20(26)17(9-10-29-2)23-21(27)22-12-7-8-15-16(11-12)19(25)14-6-4-3-5-13(14)18(15)24/h3-8,11,17H,9-10H2,1-2H3,(H2,22,23,27)