ethyl 4-[(4-chlorophenyl)sulfanylmethyl]-3-nitro-benzoate

Systemtic Name: ethyl 4-[(4-chlorophenyl)sulfanylmethyl]-3-nitro-benzoate Openeye Name: ethyl 4-[(4-chlorophenyl)sulfanylmethyl]-3-nitro-benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)sulfanylmethyl]-3-nitrobenzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]-3-nitro-benzoic acid ethyl ester Formula: C16H14ClNO4S MolecularWeight: 351.80466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO4S/c1-2-22-16(19)11-3-4-12(15(9-11)18(20)21)10-23-14-7-5-13(17)6-8-14/h3-9H,2,10H2,1H3