| SpectraBase Spectrum ID |
KtlFNDwio4j |
| Name |
2-[(3,4-Dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.025868954 u |
| Formula |
C17H16Cl2N2O3S |
| InChI |
InChI=1S/C17H16Cl2N2O3S/c1-24-16(22)14-10-4-2-3-5-13(10)25-15(14)21-17(23)20-9-6-7-11(18)12(19)8-9/h6-8H,2-5H2,1H3,(H2,20,21,23) |
| InChIKey |
QIDKETOIHQJRKY-UHFFFAOYSA-N |
| Molecular Weight |
399.292 g/mol |
| SMILES |
C1(=C(C=2CCCCC2S1)C(=O)OC)NC(NC=1C=C(Cl)C(=CC1)Cl)=O |
![2-[(3,4-Dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester](/api/spectrum/KtlFNDwio4j/structure.png?h=300&w=458 "2-[(3,4-Dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester")
