methyl (2Z,4E)-2-methylsulfanyl-5-naphthalen-1-yl-4-nitro-penta-2,4-dienoate

Systemtic Name: methyl (2Z,4E)-2-methylsulfanyl-5-naphthalen-1-yl-4-nitro-penta-2,4-dienoate Openeye Name: methyl (2Z,4E)-2-methylsulfanyl-5-(1-naphthyl)-4-nitro-penta-2,4-dienoate CAS Name: (2Z,4E)-2-(methylthio)-5-(1-naphthalenyl)-4-nitropenta-2,4-dienoic acid methyl ester IUPAC Name: methyl (2Z,4E)-2-methylsulfanyl-5-naphthalen-1-yl-4-nitropenta-2,4-dienoate Traditional Name: (2Z,4E)-2-(methylthio)-5-(1-naphthyl)-4-nitro-penta-2,4-dienoic acid methyl ester Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC(=CC1=CC=CC2=CC=CC=C21)[N+](=O)[O-])SC

Isomeric SMILES

COC(=O)/C(=C/C(=C\C1=CC=CC2=CC=CC=C21)/[N+](=O)[O-])/SC

InChI

InChI=1S/C17H15NO4S/c1-22-17(19)16(23-2)11-14(18(20)21)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-11H,1-2H3/b14-10+,16-11-