(2Z)-2-[[2-(cyclohexylamino)ethylamino]-oxidanyl-methylidene]-1-benzothiophen-3-one; ethanedioic acid

Systemtic Name: (2Z)-2-[[2-(cyclohexylamino)ethylamino]-oxidanyl-methylidene]-1-benzothiophen-3-one; ethanedioic acid Openeye Name: (2Z)-2-[[2-(cyclohexylamino)ethylamino]-hydroxy-methylene]benzothiophen-3-one; oxalic acid CAS Name: (2Z)-2-[[2-(cyclohexylamino)ethylamino]-hydroxymethylidene]-1-benzothiophen-3-one; oxalic acid IUPAC Name: (2Z)-2-[[2-(cyclohexylamino)ethylamino]-hydroxymethylidene]-1-benzothiophen-3-one; oxalic acid Traditional Name: (2Z)-2-[[2-(cyclohexylamino)ethylamino]-hydroxy-methylene]benzothiophen-3-one; oxalic acid Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCNC(=C2C(=O)C3=CC=CC=C3S2)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)NCCN/C(=C/2\C(=O)C3=CC=CC=C3S2)/O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22N2O2S.C2H2O4/c20-15-13-8-4-5-9-14(13)22-16(15)17(21)19-11-10-18-12-6-2-1-3-7-12;3-1(4)2(5)6/h4-5,8-9,12,18-19,21H,1-3,6-7,10-11H2;(H,3,4)(H,5,6)/b17-16-;