(E)-but-2-enedioic acid; 2-(2-chloranylphenothiazin-10-yl)-N-methyl-N-(phenylmethyl)ethanamide

Systemtic Name: (E)-but-2-enedioic acid; 2-(2-chloranylphenothiazin-10-yl)-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(2-chlorophenothiazin-10-yl)-N-methyl-acetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(2-chloro-10-phenothiazinyl)-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(2-chlorophenothiazin-10-yl)-N-methylacetamide; (E)-but-2-enedioic acid Traditional Name: N-benzyl-2-(2-chlorophenothiazin-10-yl)-N-methyl-acetamide; fumaric acid Formula: C26H23ClN2O5S MolecularWeight: 510.98922

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H19ClN2OS.C4H4O4/c1-24(14-16-7-3-2-4-8-16)22(26)15-25-18-9-5-6-10-20(18)27-21-12-11-17(23)13-19(21)25;5-3(6)1-2-4(7)8/h2-13H,14-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+