| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S=C(NCC)Nc4ccc(C=1c3c(OC=2C=1C=CC(=O)C=2)cc(O)cc3)c(C(=O)O)c4 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCNC(=S)Nc1ccc(c(c1)C(O)=O)C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24 |
| SMILES | CACTVS | 3.341 | CCNC(=S)Nc1ccc(c(c1)C(O)=O)C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCNC(=S)Nc1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCNC(=S)Nc1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O |
| InChI | InChI | 1.03 | InChI=1S/C23H18N2O5S/c1-2-24-23(31)25-12-3-6-15(18(9-12)22(28)29)21-16-7-4-13(26)10-19(16)30-20-11-14(27)5-8-17(20)21/h3-11,26H,2H2,1H3,(H,28,29)(H2,24,25,31) |
| InChIKey | InChI | 1.03 | VHJFQSRUDVDTEO-UHFFFAOYSA-N |
