(4-chlorophenyl)methyl 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: (4-chlorophenyl)methyl 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: (4-chlorophenyl)methyl 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid (4-chlorobenzyl) ester Formula: C16H13ClN2O5S MolecularWeight: 380.80282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13ClN2O5S/c17-12-4-1-10(2-5-12)8-24-15(20)9-25-14-6-3-11(16(18)21)7-13(14)19(22)23/h1-7H,8-9H2,(H2,18,21)