ethyl 3-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[(2-cyanophenyl)methylthio]ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-[(2-cyanobenzyl)thio]ethylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCSCC2=CC=CC=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCSCC2=CC=CC=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-2-28-20(25)17-9-16(10-18(11-17)23(26)27)19(24)22-7-8-29-13-15-6-4-3-5-14(15)12-21/h3-6,9-11H,2,7-8,13H2,1H3,(H,22,24)