(E)-but-2-enedioic acid; 1-(2-diethylaminoethylamino)-2-methoxy-4-methyl-thioxanthen-9-one

Systemtic Name: (E)-but-2-enedioic acid; 1-(2-diethylaminoethylamino)-2-methoxy-4-methyl-thioxanthen-9-one Openeye Name: 1-(2-diethylaminoethylamino)-2-methoxy-4-methyl-thioxanthen-9-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(2-diethylaminoethylamino)-2-methoxy-4-methyl-9-thioxanthenone IUPAC Name: (E)-but-2-enedioic acid; 1-(2-diethylaminoethylamino)-2-methoxy-4-methylthioxanthen-9-one Traditional Name: 1-(2-diethylaminoethylamino)-2-methoxy-4-methyl-thioxanthen-9-one; fumaric acid Formula: C25H30N2O6S MolecularWeight: 486.5805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3S2)C)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCNC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3S2)C)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H26N2O2S.C4H4O4/c1-5-23(6-2)12-11-22-19-16(25-4)13-14(3)21-18(19)20(24)15-9-7-8-10-17(15)26-21;5-3(6)1-2-4(7)8/h7-10,13,22H,5-6,11-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+