piperidin-4-ylmethyl 1-butyl-2-sulfanyl-indole-3-carboxylate

Systemtic Name: piperidin-4-ylmethyl 1-butyl-2-sulfanyl-indole-3-carboxylate Openeye Name: 4-piperidylmethyl 1-butyl-2-sulfanyl-indole-3-carboxylate CAS Name: 1-butyl-2-mercapto-3-indolecarboxylic acid 4-piperidinylmethyl ester IUPAC Name: piperidin-4-ylmethyl 1-butyl-2-sulfanylindole-3-carboxylate Traditional Name: 1-butyl-2-mercapto-indole-3-carboxylic acid 4-piperidylmethyl ester Formula: C19H26N2O2S MolecularWeight: 346.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C1S)C(=O)OCC3CCNCC3

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C1S)C(=O)OCC3CCNCC3

InChI

InChI=1S/C19H26N2O2S/c1-2-3-12-21-16-7-5-4-6-15(16)17(18(21)24)19(22)23-13-14-8-10-20-11-9-14/h4-7,14,20,24H,2-3,8-13H2,1H3