[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C17H14N2O7S MolecularWeight: 390.36726

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H14N2O7S/c1-27-11-4-2-3-10(5-11)18-16(20)8-24-17(21)12-6-14-15(26-9-25-14)7-13(12)19(22)23/h2-7H,8-9H2,1H3,(H,18,20)