1-[(E)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino]oxy-3-(3-ethylpent-1-yn-3-ylamino)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[(E)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino]oxy-3-(3-ethylpent-1-yn-3-ylamino)propan-2-ol; ethanedioic acid Openeye Name: 1-(1,1-diethylprop-2-ynylamino)-3-[(E)-6,7-dihydro-5H-benzothiophen-4-ylideneamino]oxy-propan-2-ol; oxalic acid CAS Name: 1-[(E)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino]oxy-3-(3-ethylpent-1-yn-3-ylamino)-2-propanol; oxalic acid IUPAC Name: 1-[(E)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino]oxy-3-(3-ethylpent-1-yn-3-ylamino)propan-2-ol; oxalic acid Traditional Name: 1-(1,1-diethylprop-2-ynylamino)-3-[(E)-6,7-dihydro-5H-benzothiophen-4-ylideneamino]oxy-propan-2-ol; oxalic acid Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NCC(CON=C1CCCC2=C1C=CS2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)(C#C)NCC(CO/N=C/1\CCCC2=C1C=CS2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N2O2S.C2H2O4/c1-4-18(5-2,6-3)19-12-14(21)13-22-20-16-8-7-9-17-15(16)10-11-23-17;3-1(4)2(5)6/h1,10-11,14,19,21H,5-9,12-13H2,2-3H3;(H,3,4)(H,5,6)/b20-16+;