(E)-but-2-enedioic acid; 2-[4-[4-[2-(2-chloranylphenoxy)ethyl-methyl-amino]butoxy]phenyl]-4H-1,4-benzothiazin-3-one

Systemtic Name: (E)-but-2-enedioic acid; 2-[4-[4-[2-(2-chloranylphenoxy)ethyl-methyl-amino]butoxy]phenyl]-4H-1,4-benzothiazin-3-one Openeye Name: 2-[4-[4-[2-(2-chlorophenoxy)ethyl-methyl-amino]butoxy]phenyl]-4H-1,4-benzothiazin-3-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[4-[4-[2-(2-chlorophenoxy)ethyl-methylamino]butoxy]phenyl]-4H-1,4-benzothiazin-3-one IUPAC Name: (E)-but-2-enedioic acid; 2-[4-[4-[2-(2-chlorophenoxy)ethyl-methylamino]butoxy]phenyl]-4H-1,4-benzothiazin-3-one Traditional Name: 2-[4-[4-[2-(2-chlorophenoxy)ethyl-methyl-amino]butoxy]phenyl]-4H-1,4-benzothiazin-3-one; fumaric acid Formula: C31H33ClN2O7S MolecularWeight: 613.12092

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCOC1=CC=C(C=C1)C2C(=O)NC3=CC=CC=C3S2)CCOC4=CC=CC=C4Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCCCOC1=CC=C(C=C1)C2C(=O)NC3=CC=CC=C3S2)CCOC4=CC=CC=C4Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C27H29ClN2O3S.C4H4O4/c1-30(17-19-33-24-10-4-2-8-22(24)28)16-6-7-18-32-21-14-12-20(13-15-21)26-27(31)29-23-9-3-5-11-25(23)34-26;5-3(6)1-2-4(7)8/h2-5,8-15,26H,6-7,16-19H2,1H3,(H,29,31);1-2H,(H,5,6)(H,7,8)/b;2-1+