ethyl 3-[(3-methylsulfanylphenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(3-methylsulfanylphenyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(3-methylsulfanylphenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(methylthio)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-methylsulfanylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(methylthio)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c1-3-24-17(21)12-7-11(8-14(9-12)19(22)23)16(20)18-13-5-4-6-15(10-13)25-2/h4-10H,3H2,1-2H3,(H,18,20)