methyl 2-[[methyl-(4-methylphenyl)-oxidanylidene-$l^{6}-sulfanylidene]amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[[methyl-(4-methylphenyl)-oxidanylidene-$l^{6}-sulfanylidene]amino]-5-nitro-benzoate Openeye Name: methyl 2-[[methyl-oxo-(p-tolyl)-$l^{6}-sulfanylidene]amino]-5-nitro-benzoate CAS Name: 2-[[methyl-(4-methylphenyl)-oxo-$l^{6}-sulfanylidene]amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[methyl-(4-methylphenyl)-oxo-$l^{6}-sulfanylidene]amino]-5-nitrobenzoate Traditional Name: 2-[[keto-methyl-(p-tolyl)persulfuranylidene]amino]-5-nitro-benzoic acid methyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC)(=O)C

InChI

InChI=1S/C16H16N2O5S/c1-11-4-7-13(8-5-11)24(3,22)17-15-9-6-12(18(20)21)10-14(15)16(19)23-2/h4-10H,1-3H3/t24-/m1/s1