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

Systemtic Name: 2-[[9,10-bis(oxidanylidene)anthracen-2-yl]carbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(9,10-dioxo-2-anthryl)carbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[(9,10-dioxo-2-anthracenyl)amino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(9,10-dioxoanthracen-2-yl)carbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(9,10-diketo-2-anthryl)carbamoylamino]-4-(methylthio)butyric acid Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5S/c1-28-9-8-16(19(25)26)22-20(27)21-11-6-7-14-15(10-11)18(24)13-5-3-2-4-12(13)17(14)23/h2-7,10,16H,8-9H2,1H3,(H,25,26)(H2,21,22,27)