2-isothiocyanato-2-(4-phenylsulfanylphenyl)propanoate

Systemtic Name: 2-isothiocyanato-2-(4-phenylsulfanylphenyl)propanoate Openeye Name: 2-isothiocyanato-2-(4-phenylsulfanylphenyl)propanoate CAS Name: 2-isothiocyanato-2-[4-(phenylthio)phenyl]propanoate IUPAC Name: 2-isothiocyanato-2-(4-phenylsulfanylphenyl)propanoate Traditional Name: 2-isothiocyanato-2-[4-(phenylthio)phenyl]propionate Formula: C16H12NO2S2- MolecularWeight: 314.40198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC2=CC=CC=C2)(C(=O)[O-])N=C=S

Isomeric SMILES

CC(C1=CC=C(C=C1)SC2=CC=CC=C2)(C(=O)[O-])N=C=S

InChI

InChI=1S/C16H13NO2S2/c1-16(15(18)19,17-11-20)12-7-9-14(10-8-12)21-13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19)/p-1