3N4
Summary
| Name: | naphtho[2,1-b]thiophen-1-ylacetic acid |
| Formula: | C14 H10 O2 S |
| Formal charge: | 0 |
| Formula weight: | 242.293 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | naphtho[2,1-b]thiophen-1-ylacetic acid |
| OpenEye OEToolkits | 1.7.0 | 2-benzo[e][1]benzothiol-1-ylethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)Cc1c3c(sc1)ccc2ccccc23 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)Cc1csc2ccc3ccccc3c12 |
| SMILES | CACTVS | 3.370 | OC(=O)Cc1csc2ccc3ccccc3c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)ccc3c2c(cs3)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)ccc3c2c(cs3)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H10O2S/c15-13(16)7-10-8-17-12-6-5-9-3-1-2-4-11(9)14(10)12/h1-6,8H,7H2,(H,15,16) |
| InChIKey | InChI | 1.03 | SGZIYCCHNHOYKN-UHFFFAOYSA-N |
