methyl N-(2-azanylethyl)-6-methyl-9,10,10-tris(oxidanylidene)thioxanthene-3-carboximidate

Systemtic Name: methyl N-(2-azanylethyl)-6-methyl-9,10,10-tris(oxidanylidene)thioxanthene-3-carboximidate Openeye Name: methyl N-(2-aminoethyl)-6-methyl-9,10,10-trioxo-thioxanthene-3-carboximidate CAS Name: N-(2-aminoethyl)-6-methyl-9,10,10-trioxo-3-thioxanthenecarboximidic acid methyl ester IUPAC Name: methyl N-(2-aminoethyl)-6-methyl-9,10,10-trioxothioxanthene-3-carboximidate Traditional Name: N-(2-aminoethyl)-9,10,10-triketo-6-methyl-thioxanthene-3-carboximidic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=NCCN)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=NCCN)OC

InChI

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