ethyl 2-[2-nitro-4-(pyridin-3-ylmethylcarbamoyl)phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-nitro-4-(pyridin-3-ylmethylcarbamoyl)phenyl]sulfanylethanoate Openeye Name: ethyl 2-[2-nitro-4-(3-pyridylmethylcarbamoyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-nitro-4-(pyridin-3-ylmethylcarbamoyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-(3-pyridylmethylcarbamoyl)phenyl]thio]acetic acid ethyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-2-25-16(21)11-26-15-6-5-13(8-14(15)20(23)24)17(22)19-10-12-4-3-7-18-9-12/h3-9H,2,10-11H2,1H3,(H,19,22)