| SpectraBase Spectrum ID |
6GqJK4C17fR |
| Name |
Methyl 6-Amino-4-benzo[1,3]dioxol-5-yl-5-cyano-2-methylsulfanylbenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H14N2O4S |
| InChI |
InChI=1S/C17H14N2O4S/c1-21-17(20)15-14(24-2)6-10(11(7-18)16(15)19)9-3-4-12-13(5-9)23-8-22-12/h3-6H,8,19H2,1-2H3 |
| InChIKey |
CXNWHHNQIABDCF-UHFFFAOYSA-N |
| Molecular Weight |
342.369 g/mol |
| SMILES |
Nc1c(c(cc(-c2cc3OCOc3cc2)c1C#N)SC)C(=O)OC |
| SPLASH |
splash10-03e9-0094000000-707a2c6fd063a4fc289f |
| Source of Spectrum |
Y-45-277-11j |
| Synonyms |
Methyl 2-amino-4-(1,3-benzodioxol-5-yl)-3-cyano-6-methylsulfanylbenzoate
Methyl 2-amino-4-(1,3-benzodioxol-5-yl)-3-cyano-6-methylsulfanyl-benzoate
Methyl 2-azanyl-4-(1,3-benzodioxol-5-yl)-3-cyano-6-methylsulfanyl-benzoate |
| Wiley ID |
1666182 |
![Methyl 6-Amino-4-benzo[1,3]dioxol-5-yl-5-cyano-2-methylsulfanylbenzoate](/api/spectrum/6GqJK4C17fR/structure.png?h=300&w=458 "Methyl 6-Amino-4-benzo[1,3]dioxol-5-yl-5-cyano-2-methylsulfanylbenzoate")
