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

Systemtic Name: (E)-but-2-enedioic acid; 1-(7-ethylthieno[2,3-g]indazol-1-yl)propan-2-amine Openeye Name: 1-(7-ethylthieno[2,3-g]indazol-1-yl)propan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(7-ethyl-1-thieno[2,3-g]indazolyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(7-ethylthieno[2,3-g]indazol-1-yl)propan-2-amine Traditional Name: [2-(7-ethylthien[2,3-g]indazol-1-yl)-1-methyl-ethyl]amine; fumaric acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3S.C4H4O4/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15;5-3(6)1-2-4(7)8/h4-7,9H,3,8,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+