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

Systemtic Name: methyl N-(2-azanylethyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboximidate Openeye Name: methyl N-(2-aminoethyl)-9,10,10-trioxo-thioxanthene-3-carboximidate CAS Name: N-(2-aminoethyl)-9,10,10-trioxo-3-thioxanthenecarboximidic acid methyl ester IUPAC Name: methyl N-(2-aminoethyl)-9,10,10-trioxothioxanthene-3-carboximidate Traditional Name: N-(2-aminoethyl)-9,10,10-triketo-thioxanthene-3-carboximidic acid methyl ester Formula: C17H16N2O4S MolecularWeight: 344.38494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=NCCN)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

COC(=NCCN)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C17H16N2O4S/c1-23-17(19-9-8-18)11-6-7-13-15(10-11)24(21,22)14-5-3-2-4-12(14)16(13)20/h2-7,10H,8-9,18H2,1H3