(E)-but-2-enedioic acid; 10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-N-prop-2-enyl-phenothiazine-2-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-N-prop-2-enyl-phenothiazine-2-carboxamide Openeye Name: N-allyl-10-[2-(2,5-dihydropyrrol-1-yl)-1-methyl-ethyl]phenothiazine-2-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-N-prop-2-enyl-2-phenothiazinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-N-prop-2-enylphenothiazine-2-carboxamide Traditional Name: N-allyl-10-[1-methyl-2-(3-pyrrolin-1-yl)ethyl]phenothiazine-2-carboxamide; fumaric acid Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CC=CC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)NCC=C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1CC=CC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)NCC=C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H25N3OS.C4H4O4/c1-3-12-24-23(27)18-10-11-22-20(15-18)26(17(2)16-25-13-6-7-14-25)19-8-4-5-9-21(19)28-22;5-3(6)1-2-4(7)8/h3-11,15,17H,1,12-14,16H2,2H3,(H,24,27);1-2H,(H,5,6)(H,7,8)/b;2-1+