Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(OCC1(C)CCCCC1)ccc(cc2)CC=3C(NC(=O)S=3)=O |
InChI | InChI | 1.03 | InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,23H,2-4,9-12H2,1H3,(H,19,20,21) |
InChIKey | InChI | 1.03 | VYHNBSGGAFFFLO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(CCCCC1)COc2ccc(CC3=[SH]C(=O)NC3=O)cc2 |
SMILES | CACTVS | 3.385 | CC1(CCCCC1)COc2ccc(CC3=[SH]C(=O)NC3=O)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CCCCC1)COc2ccc(cc2)CC3=SC(=O)NC3=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCCCC1)COc2ccc(cc2)CC3=SC(=O)NC3=O |