3-(1H-Indol-3-yl)-2-[(thiophen-2-ylmethyl)amino]propanoic acid methyl ester

SpectraBase Compound ID	Cbg31lPutn8
InChI	InChI=1S/C17H18N2O2S/c1-21-17(20)16(19-11-13-5-4-8-22-13)9-12-10-18-15-7-3-2-6-14(12)15/h2-8,10,16,18-19H,9,11H2,1H3/t16-/m0/s1
InChIKey	NMLQTJMGSCPVIF-INIZCTEOSA-N Google Search
Mol Weight	314.4 g/mol
Molecular Formula	C17H18N2O2S
Exact Mass	314.108899 g/mol

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SpectraBase Spectrum ID	4b2myp8PqP2
Name	3-(1H-Indol-3-yl)-2-[(thiophen-2-ylmethyl)amino]propanoic acid methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	314.108899000 u
Formula	C17H18N2O2S
InChI	InChI=1S/C17H18N2O2S/c1-21-17(20)16(19-11-13-5-4-8-22-13)9-12-10-18-15-7-3-2-6-14(12)15/h2-8,10,16,18-19H,9,11H2,1H3/t16-/m0/s1
InChIKey	NMLQTJMGSCPVIF-INIZCTEOSA-N
Molecular Weight	314.403 g/mol
SMILES	C1(=CNC2=C1C=CC=C2)C[C@@](C(=O)OC)(NCC=1SC=CC1)[H]