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

Systemtic Name: (Z)-but-2-enedioic acid; 2-(2-dimethylaminoethylamino)-1-phenothiazin-10-yl-ethanone Openeye Name: 2-(2-dimethylaminoethylamino)-1-phenothiazin-10-yl-ethanone; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-(2-dimethylaminoethylamino)-1-(10-phenothiazinyl)ethanone IUPAC Name: (Z)-but-2-enedioic acid; 2-(2-dimethylaminoethylamino)-1-phenothiazin-10-ylethanone Traditional Name: 2-(2-dimethylaminoethylamino)-1-phenothiazin-10-yl-ethanone; maleic acid Formula: C26H29N3O9S MolecularWeight: 559.58816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)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

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

InChI

InChI=1S/C18H21N3OS.2C4H4O4/c1-20(2)12-11-19-13-18(22)21-14-7-3-5-9-16(14)23-17-10-6-4-8-15(17)21;2*5-3(6)1-2-4(7)8/h3-10,19H,11-13H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-