methyl 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(9,10-dioxo-1-anthryl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[(9,10-dioxo-1-anthracenyl)amino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(9,10-diketo-1-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=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O

InChI

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