(E)-but-2-enedioic acid; 3-phenothiazin-10-ylpropan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3-phenothiazin-10-ylpropan-1-amine Openeye Name: fumaric acid; 3-phenothiazin-10-ylpropan-1-amine CAS Name: (E)-2-butenedioic acid; 3-(10-phenothiazinyl)-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-phenothiazin-10-ylpropan-1-amine Traditional Name: fumaric acid; 3-phenothiazin-10-ylpropylamine Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H16N2S.C4H4O4/c16-10-5-11-17-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)17;5-3(6)1-2-4(7)8/h1-4,6-9H,5,10-11,16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+