(6-chloranylpyridin-3-yl)methyl 4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: (6-chloro-3-pyridyl)methyl 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid (6-chloro-3-pyridyl)methyl ester Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CN=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)OCC1=CN=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O5S/c1-28-8-7-15(18(24)27-11-12-5-6-16(19)20-10-12)21-17(23)13-3-2-4-14(9-13)22(25)26/h2-6,9-10,15H,7-8,11H2,1H3,(H,21,23)