(3,4-dimethylphenyl) 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: (3,4-dimethylphenyl) 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: (3,4-dimethylphenyl) 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid (3,4-dimethylphenyl) ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C17H16N2O5S/c1-10-3-5-13(7-11(10)2)24-16(20)9-25-15-6-4-12(17(18)21)8-14(15)19(22)23/h3-8H,9H2,1-2H3,(H2,18,21)