methyl 3-[4-(naphthalen-2-ylcarbamoyl)-2-nitro-phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-(naphthalen-2-ylcarbamoyl)-2-nitro-phenyl]sulfanylpropanoate Openeye Name: methyl 3-[4-(2-naphthylcarbamoyl)-2-nitro-phenyl]sulfanylpropanoate CAS Name: 3-[[4-[(2-naphthalenylamino)-oxomethyl]-2-nitrophenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(naphthalen-2-ylcarbamoyl)-2-nitrophenyl]sulfanylpropanoate Traditional Name: 3-[[4-(2-naphthylcarbamoyl)-2-nitro-phenyl]thio]propionic acid methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)C(=O)NC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)C(=O)NC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S/c1-28-20(24)10-11-29-19-9-7-16(13-18(19)23(26)27)21(25)22-17-8-6-14-4-2-3-5-15(14)12-17/h2-9,12-13H,10-11H2,1H3,(H,22,25)