(E)-but-2-enedioic acid; N-[(2-hydroxyphenyl)methyl]-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-[(2-hydroxyphenyl)methyl]-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide Openeye Name: fumaric acid; N-[(2-hydroxyphenyl)methyl]-10-(1-methyl-2-pyrrolidin-1-yl-ethyl)phenothiazine-2-carboxamide CAS Name: (E)-2-butenedioic acid; N-[(2-hydroxyphenyl)methyl]-10-[1-(1-pyrrolidinyl)propan-2-yl]-2-phenothiazinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-[(2-hydroxyphenyl)methyl]-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide Traditional Name: fumaric acid; 10-(1-methyl-2-pyrrolidino-ethyl)-N-salicyl-phenothiazine-2-carboxamide Formula: C31H33N3O6S MolecularWeight: 575.67522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)NCC5=CC=CC=C5O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1CCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)NCC5=CC=CC=C5O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C27H29N3O2S.C4H4O4/c1-19(18-29-14-6-7-15-29)30-22-9-3-5-11-25(22)33-26-13-12-20(16-23(26)30)27(32)28-17-21-8-2-4-10-24(21)31;5-3(6)1-2-4(7)8/h2-5,8-13,16,19,31H,6-7,14-15,17-18H2,1H3,(H,28,32);1-2H,(H,5,6)(H,7,8)/b;2-1+