ethyl 2-[4-[1,3-benzodioxol-5-ylmethyl-(4-fluorophenyl)carbamoyl]-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-[1,3-benzodioxol-5-ylmethyl-(4-fluorophenyl)carbamoyl]-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-[1,3-benzodioxol-5-ylmethyl-(4-fluorophenyl)carbamoyl]-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[[N-(1,3-benzodioxol-5-ylmethyl)-4-fluoroanilino]-oxomethyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[1,3-benzodioxol-5-ylmethyl-(4-fluorophenyl)carbamoyl]-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-[(4-fluorophenyl)-piperonyl-carbamoyl]-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C25H21FN2O7S MolecularWeight: 512.506843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C25H21FN2O7S/c1-2-33-24(29)14-36-23-10-4-17(12-20(23)28(31)32)25(30)27(19-7-5-18(26)6-8-19)13-16-3-9-21-22(11-16)35-15-34-21/h3-12H,2,13-15H2,1H3