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

Systemtic Name: (E)-but-2-enedioic acid; 1-(2-dimethylaminoethylamino)-2-methoxy-4-methyl-thioxanthen-9-one Openeye Name: 1-(2-dimethylaminoethylamino)-2-methoxy-4-methyl-thioxanthen-9-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(2-dimethylaminoethylamino)-2-methoxy-4-methyl-9-thioxanthenone IUPAC Name: (E)-but-2-enedioic acid; 1-(2-dimethylaminoethylamino)-2-methoxy-4-methylthioxanthen-9-one Traditional Name: 1-(2-dimethylaminoethylamino)-2-methoxy-4-methyl-thioxanthen-9-one; fumaric acid Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1SC3=CC=CC=C3C2=O)NCCN(C)C)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C2=C1SC3=CC=CC=C3C2=O)NCCN(C)C)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H22N2O2S.C4H4O4/c1-12-11-14(23-4)17(20-9-10-21(2)3)16-18(22)13-7-5-6-8-15(13)24-19(12)16;5-3(6)1-2-4(7)8/h5-8,11,20H,9-10H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+