(4-isothiocyanatophenyl) 5-butylsulfanylthiophene-2-carboxylate

Systemtic Name: (4-isothiocyanatophenyl) 5-butylsulfanylthiophene-2-carboxylate Openeye Name: (4-isothiocyanatophenyl) 5-butylsulfanylthiophene-2-carboxylate CAS Name: 5-(butylthio)-2-thiophenecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 5-butylsulfanylthiophene-2-carboxylate Traditional Name: 5-(butylthio)thiophene-2-carboxylic acid (4-isothiocyanatophenyl) ester Formula: C16H15NO2S3 MolecularWeight: 349.4908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(S1)C(=O)OC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCSC1=CC=C(S1)C(=O)OC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C16H15NO2S3/c1-2-3-10-21-15-9-8-14(22-15)16(18)19-13-6-4-12(5-7-13)17-11-20/h4-9H,2-3,10H2,1H3