ethyl 2-[[10,10-bis(oxidanylidene)thioxanthen-9-ylidene]amino]-3-methyl-butanoate

Systemtic Name: ethyl 2-[[10,10-bis(oxidanylidene)thioxanthen-9-ylidene]amino]-3-methyl-butanoate Openeye Name: ethyl 2-[(10,10-dioxothioxanthen-9-ylidene)amino]-3-methyl-butanoate CAS Name: 2-[(10,10-dioxo-9-thioxanthenylidene)amino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(10,10-dioxothioxanthen-9-ylidene)amino]-3-methylbutanoate Traditional Name: 2-[(10,10-diketothioxanthen-9-ylidene)amino]-3-methyl-butyric acid ethyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)N=C1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31

Isomeric SMILES

CCOC(=O)C(C(C)C)N=C1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31

InChI

InChI=1S/C20H21NO4S/c1-4-25-20(22)18(13(2)3)21-19-14-9-5-7-11-16(14)26(23,24)17-12-8-6-10-15(17)19/h5-13,18H,4H2,1-3H3