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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)SCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl

InChI

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