2-(4-chlorophenyl)sulfanylethyl 1H-indole-3-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 1H-indole-3-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 1H-indole-3-carboxylate CAS Name: 1H-indole-3-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 1H-indole-3-carboxylate Traditional Name: 1H-indole-3-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(=O)OCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)OCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClNO2S/c18-12-5-7-13(8-6-12)22-10-9-21-17(20)15-11-19-16-4-2-1-3-14(15)16/h1-8,11,19H,9-10H2