1-[(Z)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino]oxy-3-(pyridin-3-ylmethylamino)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[(Z)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino]oxy-3-(pyridin-3-ylmethylamino)propan-2-ol; ethanedioic acid Openeye Name: 1-[(Z)-6,7-dihydro-5H-benzothiophen-4-ylideneamino]oxy-3-(3-pyridylmethylamino)propan-2-ol; oxalic acid CAS Name: 1-[(Z)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino]oxy-3-(3-pyridinylmethylamino)-2-propanol; oxalic acid IUPAC Name: 1-[(Z)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino]oxy-3-(pyridin-3-ylmethylamino)propan-2-ol; oxalic acid Traditional Name: 1-[(Z)-6,7-dihydro-5H-benzothiophen-4-ylideneamino]oxy-3-(3-pyridylmethylamino)propan-2-ol; oxalic acid Formula: C21H25N3O10S MolecularWeight: 511.5023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CS2)C(=NOCC(CNCC3=CN=CC=C3)O)C1.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2=C(C=CS2)/C(=N\OCC(CNCC3=CN=CC=C3)O)/C1.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H21N3O2S.2C2H2O4/c21-14(11-19-10-13-3-2-7-18-9-13)12-22-20-16-4-1-5-17-15(16)6-8-23-17;2*3-1(4)2(5)6/h2-3,6-9,14,19,21H,1,4-5,10-12H2;2*(H,3,4)(H,5,6)/b20-16-;;