methyl N-(2-azanylethyl)-7-tert-butyl-9,10,10-tris(oxidanylidene)thioxanthene-3-carboximidate

Systemtic Name: methyl N-(2-azanylethyl)-7-tert-butyl-9,10,10-tris(oxidanylidene)thioxanthene-3-carboximidate Openeye Name: methyl N-(2-aminoethyl)-7-tert-butyl-9,10,10-trioxo-thioxanthene-3-carboximidate CAS Name: N-(2-aminoethyl)-7-tert-butyl-9,10,10-trioxo-3-thioxanthenecarboximidic acid methyl ester IUPAC Name: methyl N-(2-aminoethyl)-7-tert-butyl-9,10,10-trioxothioxanthene-3-carboximidate Traditional Name: N-(2-aminoethyl)-7-tert-butyl-9,10,10-triketo-thioxanthene-3-carboximidic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=NCCN)OC

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=NCCN)OC

InChI

InChI=1S/C21H24N2O4S/c1-21(2,3)14-6-8-17-16(12-14)19(24)15-7-5-13(11-18(15)28(17,25)26)20(27-4)23-10-9-22/h5-8,11-12H,9-10,22H2,1-4H3