propyl 5-phenylsulfanyl-1H-pyrrole-3-carboxylate

Systemtic Name: propyl 5-phenylsulfanyl-1H-pyrrole-3-carboxylate Openeye Name: propyl 5-phenylsulfanyl-1H-pyrrole-3-carboxylate CAS Name: 5-(phenylthio)-1H-pyrrole-3-carboxylic acid propyl ester IUPAC Name: propyl 5-phenylsulfanyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(phenylthio)-1H-pyrrole-3-carboxylic acid propyl ester Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CNC(=C1)SC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)C1=CNC(=C1)SC2=CC=CC=C2

InChI

InChI=1S/C14H15NO2S/c1-2-8-17-14(16)11-9-13(15-10-11)18-12-6-4-3-5-7-12/h3-7,9-10,15H,2,8H2,1H3