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

Systemtic Name: methyl N-(2-azanylethyl)-7-methyl-9,10,10-tris(oxidanylidene)thioxanthene-3-carboximidate Openeye Name: methyl N-(2-aminoethyl)-7-methyl-9,10,10-trioxo-thioxanthene-3-carboximidate CAS Name: N-(2-aminoethyl)-7-methyl-9,10,10-trioxo-3-thioxanthenecarboximidic acid methyl ester IUPAC Name: methyl N-(2-aminoethyl)-7-methyl-9,10,10-trioxothioxanthene-3-carboximidate Traditional Name: N-(2-aminoethyl)-9,10,10-triketo-7-methyl-thioxanthene-3-carboximidic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=NCCN)OC

Isomeric SMILES

CC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=NCCN)OC

InChI

InChI=1S/C18H18N2O4S/c1-11-3-6-15-14(9-11)17(21)13-5-4-12(10-16(13)25(15,22)23)18(24-2)20-8-7-19/h3-6,9-10H,7-8,19H2,1-2H3