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

Systemtic Name: (E)-but-2-enedioic acid; 2-(7-propan-2-ylthieno[2,3-g]indazol-1-yl)ethanamine Openeye Name: fumaric acid; 2-(7-isopropylthieno[2,3-g]indazol-1-yl)ethanamine CAS Name: (E)-2-butenedioic acid; 2-(7-propan-2-yl-1-thieno[2,3-g]indazolyl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(7-propan-2-ylthieno[2,3-g]indazol-1-yl)ethanamine Traditional Name: fumaric acid; 2-(7-isopropylthien[2,3-g]indazol-1-yl)ethylamine Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(S1)C=CC3=C2N(N=C3)CCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC2=C(S1)C=CC3=C2N(N=C3)CCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H17N3S.C4H4O4/c1-9(2)13-7-11-12(18-13)4-3-10-8-16-17(6-5-15)14(10)11;5-3(6)1-2-4(7)8/h3-4,7-9H,5-6,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+