[(5E)-5-[(5-azanyl-4-ethoxycarbonyl-3-phenyl-thiophen-2-yl)methylidene]-3-ethoxycarbonyl-4-phenyl-thiophen-2-ylidene]azanium chloride

Systemtic Name: [(5E)-5-[(5-azanyl-4-ethoxycarbonyl-3-phenyl-thiophen-2-yl)methylidene]-3-ethoxycarbonyl-4-phenyl-thiophen-2-ylidene]azanium chloride Openeye Name: [(5E)-5-[(5-amino-4-ethoxycarbonyl-3-phenyl-2-thienyl)methylene]-3-ethoxycarbonyl-4-phenyl-2-thienylidene]ammonium chloride CAS Name: [(5E)-5-[(5-amino-4-ethoxycarbonyl-3-phenyl-2-thiophenyl)methylidene]-3-ethoxycarbonyl-4-phenyl-2-thiophenylidene]ammonium chloride IUPAC Name: [(5E)-5-[(5-amino-4-ethoxycarbonyl-3-phenylthiophen-2-yl)methylidene]-3-ethoxycarbonyl-4-phenylthiophen-2-ylidene]azanium chloride Traditional Name: [(5E)-5-[(5-amino-4-carbethoxy-3-phenyl-2-thienyl)methylene]-3-carbethoxy-4-phenyl-2-thienylidene]ammonium chloride Formula: C27H25ClN2O4S2 MolecularWeight: 541.0814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC2=C(C(=C(S2)N)C(=O)OCC)C3=CC=CC=C3)SC1=[NH2+])C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(/C(=C\C2=C(C(=C(S2)N)C(=O)OCC)C3=CC=CC=C3)/SC1=[NH2+])C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C27H24N2O4S2.ClH/c1-3-32-26(30)22-20(16-11-7-5-8-12-16)18(34-24(22)28)15-19-21(17-13-9-6-10-14-17)23(25(29)35-19)27(31)33-4-2;/h5-15,28H,3-4,29H2,1-2H3;1H/b18-15+,28-24?;