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

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

Systemtic Name:ethyl 2-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-nitro-phenyl]sulfanylethanoate
Openeye Name:ethyl 2-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-nitro-phenyl]sulfanylacetate
CAS Name:2-[[4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-2-nitrophenyl]thio]acetic acid ethyl ester
IUPAC Name:ethyl 2-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-nitrophenyl]sulfanylacetate
Traditional Name:2-[[2-nitro-4-(piperonylcarbamoyl)phenyl]thio]acetic acid ethyl ester
Formula: C19H18N2O7S
MolecularWeight: 418.42042
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]


Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]


InChI

InChI=1S/C19H18N2O7S/c1-2-26-18(22)10-29-17-6-4-13(8-14(17)21(24)25)19(23)20-9-12-3-5-15-16(7-12)28-11-27-15/h3-8H,2,9-11H2,1H3,(H,20,23)


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