| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | OC(CCc3sc2c(cc1c(sc(CCC(O)=O)n1)c2)n3)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H12N2O4S2/c17-13(18)3-1-11-15-7-5-8-10(6-9(7)21-11)22-12(16-8)2-4-14(19)20/h5-6H,1-4H2,(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.03 | RNLHVOCFLIRTNO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1sc2cc3sc(CCC(O)=O)nc3cc2n1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1sc2cc3sc(CCC(O)=O)nc3cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c2c(cc3c1nc(s3)CCC(=O)O)sc(n2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c2c(cc3c1nc(s3)CCC(=O)O)sc(n2)CCC(=O)O |
