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

Systemtic Name: methyl 2-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H13NO5S MolecularWeight: 343.35382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO5S/c1-23-12(20)7-24-11-6-10(19)13-14(15(11)18)17(22)9-5-3-2-4-8(9)16(13)21/h2-6,19H,7,18H2,1H3