diethyl 2-[[2-[(10-hexylphenothiazin-3-yl)methyl]-1-(phenylsulfonyl)indol-3-yl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[2-[(10-hexylphenothiazin-3-yl)methyl]-1-(phenylsulfonyl)indol-3-yl]methylidene]propanedioate Openeye Name: diethyl 2-[[1-(benzenesulfonyl)-2-[(10-hexylphenothiazin-3-yl)methyl]indol-3-yl]methylene]propanedioate CAS Name: 2-[[1-(benzenesulfonyl)-2-[(10-hexyl-3-phenothiazinyl)methyl]-3-indolyl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[1-(benzenesulfonyl)-2-[(10-hexylphenothiazin-3-yl)methyl]indol-3-yl]methylidene]propanedioate Traditional Name: 2-[[1-besyl-2-[(10-hexylphenothiazin-3-yl)methyl]indol-3-yl]methylene]malonic acid diethyl ester Formula: C41H42N2O6S2 MolecularWeight: 722.91198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=C(C=C2)CC3=C(C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)C=C(C(=O)OCC)C(=O)OCC)SC6=CC=CC=C61

Isomeric SMILES

CCCCCCN1C2=C(C=C(C=C2)CC3=C(C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)C=C(C(=O)OCC)C(=O)OCC)SC6=CC=CC=C61

InChI

InChI=1S/C41H42N2O6S2/c1-4-7-8-16-25-42-35-21-14-15-22-38(35)50-39-27-29(23-24-36(39)42)26-37-32(28-33(40(44)48-5-2)41(45)49-6-3)31-19-12-13-20-34(31)43(37)51(46,47)30-17-10-9-11-18-30/h9-15,17-24,27-28H,4-8,16,25-26H2,1-3H3