butyl 2-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylethanoate

Systemtic Name: butyl 2-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylethanoate Openeye Name: butyl 2-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)sulfanyl]acetate CAS Name: 2-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)sulfanylacetate Traditional Name: 2-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)thio]acetic acid butyl ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N

Isomeric SMILES

CCCCOC(=O)CSC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N

InChI

InChI=1S/C20H19NO5S/c1-2-3-8-26-15(23)10-27-14-9-13(22)16-17(18(14)21)20(25)12-7-5-4-6-11(12)19(16)24/h4-7,9,22H,2-3,8,10,21H2,1H3