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

Systemtic Name: methyl N-(2-azanylethyl)-7-methoxy-9,10,10-tris(oxidanylidene)thioxanthene-3-carboximidate Openeye Name: methyl N-(2-aminoethyl)-7-methoxy-9,10,10-trioxo-thioxanthene-3-carboximidate CAS Name: N-(2-aminoethyl)-7-methoxy-9,10,10-trioxo-3-thioxanthenecarboximidic acid methyl ester IUPAC Name: methyl N-(2-aminoethyl)-7-methoxy-9,10,10-trioxothioxanthene-3-carboximidate Traditional Name: N-(2-aminoethyl)-9,10,10-triketo-7-methoxy-thioxanthene-3-carboximidic acid methyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=NCCN)OC

Isomeric SMILES

COC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=NCCN)OC

InChI

InChI=1S/C18H18N2O5S/c1-24-12-4-6-15-14(10-12)17(21)13-5-3-11(9-16(13)26(15,22)23)18(25-2)20-8-7-19/h3-6,9-10H,7-8,19H2,1-2H3