methyl 2-[(5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate

Systemtic Name: methyl 2-[(5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: methyl 2-[(5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5Z)-4-keto-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-thiazolidin-3-yl]acetic acid methyl ester Formula: C14H10N2O7S2 MolecularWeight: 382.3684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)SC1=S

Isomeric SMILES

COC(=O)CN1C(=O)/C(=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/SC1=S

InChI

InChI=1S/C14H10N2O7S2/c1-21-12(17)5-15-13(18)11(25-14(15)24)3-7-2-9-10(23-6-22-9)4-8(7)16(19)20/h2-4H,5-6H2,1H3/b11-3-