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

Systemtic Name: methyl N-(2-azanylethyl)-7-chloranyl-9,10,10-tris(oxidanylidene)thioxanthene-3-carboximidate Openeye Name: methyl N-(2-aminoethyl)-7-chloro-9,10,10-trioxo-thioxanthene-3-carboximidate CAS Name: N-(2-aminoethyl)-7-chloro-9,10,10-trioxo-3-thioxanthenecarboximidic acid methyl ester IUPAC Name: methyl N-(2-aminoethyl)-7-chloro-9,10,10-trioxothioxanthene-3-carboximidate Traditional Name: N-(2-aminoethyl)-7-chloro-9,10,10-triketo-thioxanthene-3-carboximidic acid methyl ester Formula: C17H15ClN2O4S MolecularWeight: 378.83

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O4S/c1-24-17(20-7-6-19)10-2-4-12-15(8-10)25(22,23)14-5-3-11(18)9-13(14)16(12)21/h2-5,8-9H,6-7,19H2,1H3