ethyl 2-[[10,10-bis(oxidanylidene)-9H-thioxanthen-9-yl]imino]-3-methyl-butanoate

Systemtic Name: ethyl 2-[[10,10-bis(oxidanylidene)-9H-thioxanthen-9-yl]imino]-3-methyl-butanoate Openeye Name: ethyl 2-[(10,10-dioxo-9H-thioxanthen-9-yl)imino]-3-methyl-butanoate CAS Name: 2-[(10,10-dioxo-9H-thioxanthen-9-yl)imino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(10,10-dioxo-9H-thioxanthen-9-yl)imino]-3-methylbutanoate Traditional Name: 2-[(10,10-diketo-9H-thioxanthen-9-yl)imino]-3-methyl-butyric acid ethyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NC1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C13)C(C)C

Isomeric SMILES

CCOC(=O)C(=NC1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C13)C(C)C

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/h5-13,19H,4H2,1-3H3