3-(5-chloranylthiophen-2-yl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide Openeye Name: 3-(5-chloro-2-thienyl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide CAS Name: 3-(5-chloro-2-thiophenyl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)-1-indenimine oxide IUPAC Name: 3-(5-chlorothiophen-2-yl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide Traditional Name: 2-carbethoxy-3-(5-chloro-2-thienyl)-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide Formula: C26H24ClNO4S MolecularWeight: 481.99106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C1=[N+](C)[O-])C=C(C=C2)OCCCC3=CC=CC=C3)C4=CC=C(S4)Cl

Isomeric SMILES

CCOC(=O)C\1=C(C2=C(/C1=[N+](/C)\[O-])C=C(C=C2)OCCCC3=CC=CC=C3)C4=CC=C(S4)Cl

InChI

InChI=1S/C26H24ClNO4S/c1-3-31-26(29)24-23(21-13-14-22(27)33-21)19-12-11-18(16-20(19)25(24)28(2)30)32-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3/b28-25+