propyl 3-phenylsulfanyl-1H-indole-2-carboxylate

Systemtic Name: propyl 3-phenylsulfanyl-1H-indole-2-carboxylate Openeye Name: propyl 3-phenylsulfanyl-1H-indole-2-carboxylate CAS Name: 3-(phenylthio)-1H-indole-2-carboxylic acid propyl ester IUPAC Name: propyl 3-phenylsulfanyl-1H-indole-2-carboxylate Traditional Name: 3-(phenylthio)-1H-indole-2-carboxylic acid propyl ester Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)C1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3

InChI

InChI=1S/C18H17NO2S/c1-2-12-21-18(20)16-17(22-13-8-4-3-5-9-13)14-10-6-7-11-15(14)19-16/h3-11,19H,2,12H2,1H3