SpectraBase Spectrum ID |
D4ulLVMhhmn |
Name |
3-Thiophenecarboxylic acid, 2-[[2-[[(4-chlorophenyl)methyl]amino]-1,2-dioxoethyl]amino]-4,5-dimethyl-, methyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
380.059755905 u |
Formula |
C17H17ClN2O4S |
InChI |
InChI=1S/C17H17ClN2O4S/c1-9-10(2)25-16(13(9)17(23)24-3)20-15(22)14(21)19-8-11-4-6-12(18)7-5-11/h4-7H,8H2,1-3H3,(H,19,21)(H,20,22) |
InChIKey |
MBFQNOTWPSRMNS-UHFFFAOYSA-N |
Molecular Weight |
380.846 g/mol |
SMILES |
N(C1=C(C(C)=C(S1)C)C(=O)OC)C(C(NCC1=CC=C(C=C1)Cl)=O)=O |