methyl 2-[(4-nitrophenyl)sulfanylmethyl]pent-4-enoate

Systemtic Name: methyl 2-[(4-nitrophenyl)sulfanylmethyl]pent-4-enoate Openeye Name: methyl 2-[(4-nitrophenyl)sulfanylmethyl]pent-4-enoate CAS Name: 2-[[(4-nitrophenyl)thio]methyl]-4-pentenoic acid methyl ester IUPAC Name: methyl 2-[(4-nitrophenyl)sulfanylmethyl]pent-4-enoate Traditional Name: 2-[[(4-nitrophenyl)thio]methyl]pent-4-enoic acid methyl ester Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=C)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CC=C)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO4S/c1-3-4-10(13(15)18-2)9-19-12-7-5-11(6-8-12)14(16)17/h3,5-8,10H,1,4,9H2,2H3