methyl 4-chloranyl-2-nitro-6-[2-(3-phenylpropylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-nitro-6-[2-(3-phenylpropylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-chloro-2-nitro-6-[[2-(3-phenylpropylsulfanyl)acetyl]amino]benzoate CAS Name: 4-chloro-2-nitro-6-[[1-oxo-2-(3-phenylpropylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-nitro-6-[[2-(3-phenylpropylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-chloro-2-nitro-6-[[2-(3-phenylpropylthio)acetyl]amino]benzoic acid methyl ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1NC(=O)CSCCCC2=CC=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1NC(=O)CSCCCC2=CC=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O5S/c1-27-19(24)18-15(10-14(20)11-16(18)22(25)26)21-17(23)12-28-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,21,23)