(2S)-1-[(Z)-(5-methoxy-2-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]pyrrolidine-2-carbothialdehyde

Systemtic Name: (2S)-1-[(Z)-(5-methoxy-2-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]pyrrolidine-2-carbothialdehyde Openeye Name: (2S)-1-[(Z)-(5-methoxy-2-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]pyrrolidine-2-carbothialdehyde CAS Name: (2S)-1-[(Z)-mercapto-(5-methoxy-2-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-pyrrolidinecarbothioaldehyde IUPAC Name: (2S)-1-[(Z)-(5-methoxy-2-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]pyrrolidine-2-carbothialdehyde Traditional Name: (2S)-1-[(Z)-(4-keto-5-methoxy-2-nitro-cyclohexa-2,5-dien-1-ylidene)-mercapto-methyl]pyrrolidine-2-carbothialdehyde Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(N2CCCC2C=S)S)C(=CC1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C/C(=C(\N2CCC[C@H]2C=S)/S)/C(=CC1=O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4S2/c1-19-12-5-9(10(15(17)18)6-11(12)16)13(21)14-4-2-3-8(14)7-20/h5-8,21H,2-4H2,1H3/b13-9-/t8-/m0/s1