methyl 2-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C18H16N2O6S/c1-24-18(21)16-11-4-2-3-5-15(11)27-17(16)19-8-10-6-13-14(26-9-25-13)7-12(10)20(22)23/h6-8H,2-5,9H2,1H3