[4-chloranyl-2-(phenylmethyl)phenyl] 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: [4-chloranyl-2-(phenylmethyl)phenyl] 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: (2-benzyl-4-chloro-phenyl) 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid [4-chloro-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-chlorophenyl) 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid (2-benzyl-4-chloro-phenyl) ester Formula: C22H17ClN2O5S MolecularWeight: 456.89878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN2O5S/c23-17-7-8-19(16(11-17)10-14-4-2-1-3-5-14)30-21(26)13-31-20-9-6-15(22(24)27)12-18(20)25(28)29/h1-9,11-12H,10,13H2,(H2,24,27)