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

Systemtic Name: methyl N-(2-azanylethyl)-9,10,10-tris(oxidanylidene)-7-propyl-thioxanthene-3-carboximidate Openeye Name: methyl N-(2-aminoethyl)-9,10,10-trioxo-7-propyl-thioxanthene-3-carboximidate CAS Name: N-(2-aminoethyl)-9,10,10-trioxo-7-propyl-3-thioxanthenecarboximidic acid methyl ester IUPAC Name: methyl N-(2-aminoethyl)-9,10,10-trioxo-7-propylthioxanthene-3-carboximidate Traditional Name: N-(2-aminoethyl)-9,10,10-triketo-7-propyl-thioxanthene-3-carboximidic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=NCCN)OC

Isomeric SMILES

CCCC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=NCCN)OC

InChI

InChI=1S/C20H22N2O4S/c1-3-4-13-5-8-17-16(11-13)19(23)15-7-6-14(12-18(15)27(17,24)25)20(26-2)22-10-9-21/h5-8,11-12H,3-4,9-10,21H2,1-2H3