(4-nitrophenyl)methyl 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (4-nitrophenyl)methyl 2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]acetic acid (4-nitrobenzyl) ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CSCC(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CSCC(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O5S/c18-13-3-5-14(6-4-13)19-16(21)10-26-11-17(22)25-9-12-1-7-15(8-2-12)20(23)24/h1-8H,9-11H2,(H,19,21)