(E)-but-2-enedioic acid; 2-(7-ethylthieno[2,3-g]indazol-1-yl)ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(7-ethylthieno[2,3-g]indazol-1-yl)ethanamine Openeye Name: 2-(7-ethylthieno[2,3-g]indazol-1-yl)ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(7-ethyl-1-thieno[2,3-g]indazolyl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(7-ethylthieno[2,3-g]indazol-1-yl)ethanamine Traditional Name: 2-(7-ethylthien[2,3-g]indazol-1-yl)ethylamine; fumaric acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)C=CC3=C2N(N=C3)CCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC2=C(S1)C=CC3=C2N(N=C3)CCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H15N3S.C4H4O4/c1-2-10-7-11-12(17-10)4-3-9-8-15-16(6-5-14)13(9)11;5-3(6)1-2-4(7)8/h3-4,7-8H,2,5-6,14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+