dimethyl 2-[[nitro(phenyl)methyl]-sulfanyl-carbamothioyl]butanedioate

Systemtic Name: dimethyl 2-[[nitro(phenyl)methyl]-sulfanyl-carbamothioyl]butanedioate Openeye Name: dimethyl 2-[[nitro(phenyl)methyl]-sulfanyl-carbamothioyl]butanedioate CAS Name: 2-[[mercapto-[nitro(phenyl)methyl]amino]-sulfanylidenemethyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[nitro(phenyl)methyl]-sulfanylcarbamothioyl]butanedioate Traditional Name: 2-[mercapto-[nitro(phenyl)methyl]thiocarbamoyl]succinic acid dimethyl ester Formula: C14H16N2O6S2 MolecularWeight: 372.41664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=S)N(C(C1=CC=CC=C1)[N+](=O)[O-])S)C(=O)OC

Isomeric SMILES

COC(=O)CC(C(=S)N(C(C1=CC=CC=C1)[N+](=O)[O-])S)C(=O)OC

InChI

InChI=1S/C14H16N2O6S2/c1-21-11(17)8-10(14(18)22-2)13(23)15(24)12(16(19)20)9-6-4-3-5-7-9/h3-7,10,12,24H,8H2,1-2H3