[4-(4-cyanophenyl)phenyl] 4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid [4-(4-cyanophenyl)phenyl] ester Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C#N)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C#N)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O5S/c1-34-14-13-23(27-24(29)20-3-2-4-21(15-20)28(31)32)25(30)33-22-11-9-19(10-12-22)18-7-5-17(16-26)6-8-18/h2-12,15,23H,13-14H2,1H3,(H,27,29)