| SpectraBase Spectrum ID |
G4aaTaNdKyo |
| Name |
Methyl 4-(4-chlorophenyl)-2-[(cyclopropylcarbonyl)amino]-5-methyl-3-thiophenecarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.053942250 u |
| Formula |
C17H16ClNO3S |
| InChI |
InChI=1S/C17H16ClNO3S/c1-9-13(10-5-7-12(18)8-6-10)14(17(21)22-2)16(23-9)19-15(20)11-3-4-11/h5-8,11H,3-4H2,1-2H3,(H,19,20) |
| InChIKey |
RVHLUDJKFFHIBI-UHFFFAOYSA-N |
| Molecular Weight |
349.832 g/mol |
| SMILES |
N(C1=C(C(=C(C)S1)C1=CC=C(C=C1)Cl)C(=O)OC)C(C1CC1)=O |