2-[[5-[(Z)-N-(1,3-benzodioxol-5-ylcarbonylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[5-[(Z)-N-(1,3-benzodioxol-5-ylcarbonylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[5-[(Z)-N-(1,3-benzodioxole-5-carbonylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]acetate CAS Name: 2-[[5-[(1Z)-1-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]ethyl]-2-methoxyphenyl]methylthio]acetate IUPAC Name: 2-[[5-[(Z)-N-(1,3-benzodioxole-5-carbonylamino)-C-methylcarbonimidoyl]-2-methoxyphenyl]methylsulfanyl]acetate Traditional Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-(piperonyloylamino)carbonimidoyl]benzyl]thio]acetate Formula: C20H19N2O6S- MolecularWeight: 415.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC(=C(C=C3)OC)CSCC(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=O)C1=CC2=C(C=C1)OCO2)/C3=CC(=C(C=C3)OC)CSCC(=O)[O-]

InChI

InChI=1S/C20H20N2O6S/c1-12(13-3-5-16(26-2)15(7-13)9-29-10-19(23)24)21-22-20(25)14-4-6-17-18(8-14)28-11-27-17/h3-8H,9-11H2,1-2H3,(H,22,25)(H,23,24)/p-1/b21-12-