ethyl 2-[2-nitro-4-(prop-2-enylcarbamoyl)phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-nitro-4-(prop-2-enylcarbamoyl)phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(allylcarbamoyl)-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-[oxo-(prop-2-enylamino)methyl]phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-nitro-4-(prop-2-enylcarbamoyl)phenyl]sulfanylacetate Traditional Name: 2-[[4-(allylcarbamoyl)-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O5S/c1-3-7-15-14(18)10-5-6-12(11(8-10)16(19)20)22-9-13(17)21-4-2/h3,5-6,8H,1,4,7,9H2,2H3,(H,15,18)