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

Systemtic Name: methyl 2-[1-azanyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylethanoate Openeye Name: methyl 2-[(1-amino-9,10-dioxo-2-anthryl)sulfanyl]acetate CAS Name: 2-[(1-amino-9,10-dioxo-2-anthracenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(1-amino-9,10-dioxoanthracen-2-yl)sulfanylacetate Traditional Name: 2-[(1-amino-9,10-diketo-2-anthryl)thio]acetic acid methyl ester Formula: C17H13NO4S MolecularWeight: 327.35442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO4S/c1-22-13(19)8-23-12-7-6-11-14(15(12)18)17(21)10-5-3-2-4-9(10)16(11)20/h2-7H,8,18H2,1H3