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

Systemtic Name: (E)-but-2-enedioic acid; 2-(7-methylthieno[2,3-g]indazol-1-yl)ethanamine Openeye Name: fumaric acid; 2-(7-methylthieno[2,3-g]indazol-1-yl)ethanamine CAS Name: (E)-2-butenedioic acid; 2-(7-methyl-1-thieno[2,3-g]indazolyl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(7-methylthieno[2,3-g]indazol-1-yl)ethanamine Traditional Name: fumaric acid; 2-(7-methylthien[2,3-g]indazol-1-yl)ethylamine Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)C=CC3=C2N(N=C3)CCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(S1)C=CC3=C2N(N=C3)CCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H13N3S.C4H4O4/c1-8-6-10-11(16-8)3-2-9-7-14-15(5-4-13)12(9)10;5-3(6)1-2-4(7)8/h2-3,6-7H,4-5,13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+