methyl N-(2-azanylethyl)-9,10,10-tris(oxidanylidene)-7-thiomorpholin-4-yl-thioxanthene-3-carboximidate

Systemtic Name: methyl N-(2-azanylethyl)-9,10,10-tris(oxidanylidene)-7-thiomorpholin-4-yl-thioxanthene-3-carboximidate Openeye Name: methyl N-(2-aminoethyl)-9,10,10-trioxo-7-thiomorpholino-thioxanthene-3-carboximidate CAS Name: N-(2-aminoethyl)-9,10,10-trioxo-7-thiomorpholin-4-yl-3-thioxanthenecarboximidic acid methyl ester IUPAC Name: methyl N-(2-aminoethyl)-9,10,10-trioxo-7-thiomorpholin-4-ylthioxanthene-3-carboximidate Traditional Name: N-(2-aminoethyl)-9,10,10-triketo-7-thiomorpholino-thioxanthene-3-carboximidic acid methyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=NCCN)C1=CC2=C(C=C1)C(=O)C3=C(S2(=O)=O)C=CC(=C3)N4CCSCC4

Isomeric SMILES

COC(=NCCN)C1=CC2=C(C=C1)C(=O)C3=C(S2(=O)=O)C=CC(=C3)N4CCSCC4

InChI

InChI=1S/C21H23N3O4S2/c1-28-21(23-7-6-22)14-2-4-16-19(12-14)30(26,27)18-5-3-15(13-17(18)20(16)25)24-8-10-29-11-9-24/h2-5,12-13H,6-11,22H2,1H3