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

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

Isomeric SMILES

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

InChI

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