(Z)-but-2-enedioic acid; 2-(2-diethylaminoethylamino)-1-phenothiazin-10-yl-ethanone

Systemtic Name: (Z)-but-2-enedioic acid; 2-(2-diethylaminoethylamino)-1-phenothiazin-10-yl-ethanone Openeye Name: 2-(2-diethylaminoethylamino)-1-phenothiazin-10-yl-ethanone; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-(2-diethylaminoethylamino)-1-(10-phenothiazinyl)ethanone IUPAC Name: (Z)-but-2-enedioic acid; 2-(2-diethylaminoethylamino)-1-phenothiazin-10-ylethanone Traditional Name: 2-(2-diethylaminoethylamino)-1-phenothiazin-10-yl-ethanone; maleic acid Formula: C28H33N3O9S MolecularWeight: 587.64132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CCNCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C13)CC.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C20H25N3OS.2C4H4O4/c1-3-22(4-2)14-13-21-15-20(24)23-16-9-5-7-11-18(16)25-19-12-8-6-10-17(19)23;2*5-3(6)1-2-4(7)8/h5-12,21H,3-4,13-15H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-